Tag: M.W=0-100

Application In Synthesis of 1H-Pyrazole-5-carbaldehyde. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 1H-Pyrazole-5-carbaldehyde, is researched, Molecular C4H4N2O, CAS is 948552-36-1, about Mononuclear complexes of FeII, CoII and CoIII containing imine-based ligands of 8-aminoquinoline and 7-aminoindazole: spin state tuning of FeII complexes in solution. Author is Sanchez-Viveros, Jose Manuel; Bucio-Ortega, Job; Ortiz-Pastrana, Naytze; Olguin, Juan.

Five mononuclear metal complexes were synthesized, three complexes of iron(II), one complex of cobalt(III) and one complex of cobalt(II) containing imine ligands based on 8-aminoquinoline or 7-aminoindazole and 2-formylpyridine or 3-formylpyrazole, namely [FeII(L1)2](BF4)2 (1), [CoIII(L1)(L1′)](BF4)2 (2), [FeII(HL2)2](BF4)2 (3), [FeII(HL3)2](BF4)2 (4) and [CoII(HL3)2](BF4)2 (5). Iron(II) complexes 1 and 3 derived from 8-aminoquinoline and 2-formylpyridine or 3-formylpyrazole, resp., were stabilized in the LS-state (S = 0) as proven by NMR spectroscopy and x-ray crystallog., whereas complex 4, based on indazole and pyridine, shows a gradual and incomplete spin conversion in CD3CN solution (the Evans method). According to NMR spectroscopy and x-ray crystallog., the cobalt complexes 2 and 5 were stabilized in different oxidation states.

The article 《Mononuclear complexes of FeII, CoII and CoIII containing imine-based ligands of 8-aminoquinoline and 7-aminoindazole: spin state tuning of FeII complexes in solution》 also mentions many details about this compound(948552-36-1)Application In Synthesis of 1H-Pyrazole-5-carbaldehyde, you can pay attention to it, because details determine success or failure

Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Electric Literature of C4H4N2O. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 1H-Pyrazole-5-carbaldehyde, is researched, Molecular C4H4N2O, CAS is 948552-36-1, about The theoretical determination of heats of formation, proton affinities and gas basicities of N and C-substituted pyrazoles: analysis of the substituent effects on the gas-phase basicity. Author is El Hammadi, A.; El Mouhtadi, M..

The MP2(FC)/6-31G* energies calculation, with complete optimization geometries at RHF/6-31G* level, was carried out on the neutral and protonated forms of C and N-mono-substituted pyrazoles (28 R-C(n)Pz and 12 R’-NPz with n = 3, 4 and 5; R = R’=H, Me, CHO, CN, NH2, NO, NO2, OH, F and Cl, and R’=Et, Pr and Ph) and some related compounds (Pyridine, 2-methylpyridine, 3-methylpyridine, Pyrrole and N-methylpyrrole). The heats of formation (using isodesmic reaction), the proton affinities (PA) and the gas basicities (GB) were determined for pyrazole derivatives The results are consistent with the exptl. evidence and provide a better understanding of the structures and energies for mono-substituted pyrazoles. Also, the RHF/6-31G* geometrical parameters are compared with those obtained by AM1 method, the agreement is satisfying. Linear relations are found between AM1 and MP2(FC)/6-31G*//6-31G* for heats of formation and for PAs of R-C(n)Pz and R’-NPz. Many pyrazole derivatives fit correlation well. Also, the structures and heats of formation for sizeable N-mono-substituted pyrazoles (17 compounds), which are interesting in chem. area, was also optimized by AM1, their PAs are scaled with a reasonable precision. Substituent electronic effects (SE) was analyzed in terms of polarizability, field, and resonance contributions using the Taft-Topsom model. The SE on N atom N(1) differs notably from those on C atoms C(3), C(4) and C(5). The origin of this difference was discussed yet.

The article 《The theoretical determination of heats of formation, proton affinities and gas basicities of N and C-substituted pyrazoles: analysis of the substituent effects on the gas-phase basicity》 also mentions many details about this compound(948552-36-1)Electric Literature of C4H4N2O, you can pay attention to it, because details determine success or failure

Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 2,4-Dimethyl-1H-pyrrole, is researched, Molecular C6H9N, CAS is 625-82-1, about Construction of an NIR and lysosome-targeted quinoline-BODIPY photosensitizer and its application in photodynamic therapy for human gastric carcinoma cells.Reference of 2,4-Dimethyl-1H-pyrrole.

In this work, a unique lysosome-targeted BODIPY photosensitizer named BOP-Lyso was designed for photodynamic therapy of cancer cells. The absorption wavelength of BOP-Lyso (10μM) was located at 650 nm and its molar absorption coefficient was 8.2 x 104 cm-1M-1. The emission wavelength of BOP-Lyso was at 709 nm. Photosensitizer BOP-Lyso showed excellent ability to produce singlet oxygen and the singlet oxygen yield of photosensitizer BOP-Lyso was calculated to be 43.1% using methylene blue as the reference with near-IR led light irradiation (660 nm). From MTT (a common method for determining cell survival rate, MTT: 3-(4, 5-dimethyl-2-thiazolyl)-2, 5-diphenyl-2-H-tetrazolium bromide) assay, BOP-Lyso had extremely low dark toxicity (cell viability > 85%) and high photo toxicity. And the IC50 value of BOP-Lyso was 0.24μM, which was much lower than the previously reported literature. Besides that, DCFH-DA (2′,7′-Dichlorodihydrofluorescein diacetate) was employed to capture the generation of reactive oxygen species (ROS) in PDT process. Lysosomal colocalization experiments demonstrated that photosensitizer BOP-Lyso had good co-localization capability and the colocalization coefficient was calculated to be 0.92. Furthermore, photosensitizer BOP-Lyso had also been successfully applied to AO/EB cell staining experiments and exhibited excellent results. Moreover, cancer cells (SGC-7901 cells, human gastric carcinoma cells) migration status could be effectively inhibited after NIR led light irradiation with BOP-Lyso. On the whole, taking the above series of data into account, photosensitizer BOP-Lyso would play an important role in actual PDT of cancer cells.

The article 《Construction of an NIR and lysosome-targeted quinoline-BODIPY photosensitizer and its application in photodynamic therapy for human gastric carcinoma cells》 also mentions many details about this compound(625-82-1)Reference of 2,4-Dimethyl-1H-pyrrole, you can pay attention to it, because details determine success or failure

Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Wijnberger, C.; Habraken, Clarisse L. published an article about the compound: 1H-Pyrazole-5-carbaldehyde( cas:948552-36-1,SMILESS:O=CC1=CC=NN1 ).Electric Literature of C4H4N2O. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:948552-36-1) through the article.

Uv and 1H N.M.R. spectral data and C : O frequencies of some methylpyrazoles containing in the 3-, 4- or 5-position, a formyl-, acetyl- or ethoxycarbonyl group are reported. These data confirm earlier conclusions that, in particular, the 4-pyrazolyl group acts as an electron releasing group. The syntheses of a number of formyl-, acetyl- and ethoxycarbonyl pyrazoles are described. In addition, some 4-dicyanovinyl- and 4-tricvanovinylpyrazoles were investigated.

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Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Electric Literature of C6H9N. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 2,4-Dimethyl-1H-pyrrole, is researched, Molecular C6H9N, CAS is 625-82-1, about Fluorogenic Trp(redBODIPY) cyclopeptide targeting keratin 1 for imaging of aggressive carcinomas. Author is Subiros-Funosas, Ramon; Ho, Vivian Cheuk Lam; Barth, Nicole D.; Mendive-Tapia, Lorena; Pappalardo, Morena; Barril, Xavier; Ma, Ruoyu; Zhang, Cheng-Bin; Qian, Bin-Zhi; Sintes, Miquel; Ghashghaei, Ouldouz; Lavilla, Rodolfo; Vendrell, Marc.

Keratin 1 (KRT1) is overexpressed in squamous carcinomas and associated with aggressive pathologies in breast cancer. Herein we report the design and preparation of the first Trp-based red fluorogenic amino acid, which is synthetically accessible in a few steps and displays excellent photophys. properties, and its application in a minimally-disruptive labeling strategy to prepare a new fluorogenic cyclopeptide for imaging of KRT1+ cells in whole intact tumor tissues.

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Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Szorcsik, Attila; Matyuska, Ferenc; Benyei, Attila; Nagy, Nora V.; Szilagyi, Robert K.; Gajda, Tamas published an article about the compound: 1H-Pyrazole-5-carbaldehyde( cas:948552-36-1,SMILESS:O=CC1=CC=NN1 ).Reference of 1H-Pyrazole-5-carbaldehyde. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:948552-36-1) through the article.

Copper(II) complexes of a polydentate tripodal ligand L × 3HCl (L = N,N’,N”-tris(5-pyrazolylmethyl)-cis,cis-1,3,5-triaminocyclohexane) were characterized in both solution and solid states. Combined evaluation of potentiometric, UV-visible, and EPR data indicated the formation of two mononuclear (CuHL, CuL) and three trinuclear (Cu3H-xL2, x = 2, 3, 4) complexes. The high stability and spectroscopic properties of the CuL species indicate a coordination of two pyrazole rings in addition to the three secondary amino groups of L in a square pyramidal geometry. In parallel with the formation of trinuclear species, intense charge transfer bands appear at ∼400-500 nm, which indicate the formation of pyrazolate-bridged complexes. The crystal structure of [Cu3H-4L2](ClO4)2·5H2O (1) reveals the formation of a unique trinuclear complex that features a tetra(pyrazolate)-bridged linear tricopper(II) core. The Cu···Cu interat. distances are ∼3.8 Å. The two peripheral copper(II) ions have a slightly distorted square pyramidal geometry. The four pyrazole rings bound to the peripheral copper(II) ions are deprotonated and create a flattened tetrahedral environment for the central copper(II), i.e. the formation of the trinuclear complexes is under the allosteric control of the two peripheral copper(II) ions. The triply deprotonated trinuclear complex is an efficient catechol oxidase mimic with a surprisingly low pH optimum at pH = 5.6. Since the mononuclear CuL species is not able to promote the oxidation of 3,5-di-tert-butylcatechol, the authors assume that the central copper(II) ion of the trinuclear complex with an unsaturated coordination sphere has a fundamental role in the binding and oxidation of the substrate. The exptl. and structural details were further elaborated by a series of hybrid d. functional theory calculations that support the presence of an antiferromagnetically coupled ground state. However, the magnitude and the pattern of spin coupling are dependent on the composition of the functionals. The optimized theor. structures highlight the role of the crystal packing effects in inducing asymmetry between the two peripheral copper(II) sites.

After consulting a lot of data, we found that this compound(948552-36-1)Reference of 1H-Pyrazole-5-carbaldehyde can be used in many types of reactions. And in most cases, this compound has more advantages.

Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Syntheses in the heterocyclic series. IV. Syntheses of heterocyclic aldehydes. 4-Pyrimidinecarboxaldehyde》. Authors are Bredereck, Hellmut; Sell, Ruediger; Effenberger, Franz.The article about the compound:1H-Pyrazole-5-carbaldehydecas:948552-36-1,SMILESS:O=CC1=CC=NN1).Safety of 1H-Pyrazole-5-carbaldehyde. Through the article, more information about this compound (cas:948552-36-1) is conveyed.

cf. CA 59, 10054b. A series of heterocyclic aldehyde acetals and aldehydes was prepared from the appropriate bifunctional compounds with an aldehyde acetal group. Me2NCH:CHCOCH(OEt)2 (I) and HN:CHNH2.AcOH (II) yielded 4-pyrimidinecarboxaldehyde di-Et acetal (III) and from this the free 4-pyrimidinecarboxaldehyde (IV). AcCH2COCH(OEt)2 (V), b10 101-3°, b0.001 48-50°, was prepared in 65% yield by the method of Panizzi (CA 38, 35003). AcCH(OAc)CH(OMe)2 (8.0 g.), b10 98-104°, in 50 cc. absolute MeOH refluxed 45 min. with 2 cc. 2% NaOMeMeOH yielded 5.0 g. AcCH(OH)CH(OMe)2 (VI), b8 87°, n20D 1.4302. AcCH(OMe)2 (29.2 g.) and 29.4 g. Me2NCH(OEt)2 heated 20 h. at 80° gave 32 g. I, b0.001 115-20°, n20D 1.5210, m. 25-30°. N2H4.H2SO4 (16.3 g.) in 100 cc. 10% aqueous NaOH treated dropwise at ∼15° with stirring with 23.5 g. V and the mixture stirred 1 h. at 15° yielded 20.5 g. (crude) 5(3)-methylpyrazole-3(5)-carboxaldehyde di-Et acetal (VII), b0.001 94-6°, n20D 1.4744. VII (4.0 g.), 0.85 cc. concentrated HCl, and 31 cc. H2O kept 10 h. at room temperature yielded 2.25 g. 5(3)-methylpyrazole-3(5)-carboxaldehyde (VIII), m. 188-9° (decomposition); oxime m. 171° (H2O); semicarbazone m. 193-8° (decomposition) (H2O); phenylhydrazone m. 184° (50% aqueous EtOH). VIII (0.5 g.) in 50 cc. concentrated NH4OH yielded during 3 days 0.4 g. 3(5)-methyl-5(3)-aminomethylenepyrazole, decomposed 170-3°. VIII (1.1 g.) and 2 cc. dry piperidine heated 3 h. at 80-90° gave 1.15 g. 3(5)-methyl-5(3)-piperidinomethylenepyrazole, m. 228-9° (decomposition). VIII (0.5 g.) in 30 cc. N2H4.H2O kept 3 days gave 0.3 g. 5(3)-methylpyrazole-3(5)-aldehyde azine, pale yellow. N2H4.H2SO4 (6.5 g.) in 40 cc. 10% aqueous NaOH treated dropwise with stirring at room temperature with 10 g. I, and the mixture stirred 2 h. and kept overnight gave 7.1 g. pyrazole-3-carboxaldehyde di-Et acetal (IX), b0.001 86°, n20D 1.4746; phenylhydrazone m. 199-201°. IX (4.0 g.) in 1% HCl kept several hrs. at room temperature gave 1.8 g. pyrazole-3-carboxaldehyde, m. 146-7° (H2O). HN:C(NH2)2 carbonate (3.1 g.) in 1 cc. concentrated H2SO4 and 5 cc. H2O treated with 5.67 g. Ba(OH)2 in 50 cc. H2O, the mixture filtered, concentrated to 10 cc., and treated 3 days with 5.0 g. VI, and the crude product (5.5 g.) treated in MeOH with picric acid in MeOH gave 5.5 g. (crude) picrate of 2-amino-4(5)-methylimidazole-5(4)-carboxaldehyde di-Me acetal (X), m. 229-30° (MeOH). VI (7.4 g.), 6.3 g. MeSC(:NH)NH2.HCl (XI.HCl), and 25 cc. absolute EtOH treated during 1 h. at room temperature with 1.15 g. Na in 25 cc. absolute EtOH, kept 3 days, and the oily product (2.0 g.) treated with saturated picric acid in MeOH gave 0.1 g. picrate, decomposed 163-5°, of the 2-MeS analog of X. VI (7.4 g.) and 7.8g. PhC(:NH)NH2.HCl gave 3.7 g. (crude) 2-Ph analog of X, m. 144-5° (AcOBu); picrate m. 239-40° (decomposition) (MeOH). V (75.2 g.), 72.4 g. XI, and 160 cc. H2O treated dropwise with stirring at room temperature during 0.5 h. with 29.2 g. KOH in 40 cc. H2O gave 49 g. di-Et acetal (XII) of 2-methylthio-6-methyl-4-pyrimidinecarboxaldehyde (XIII), yellowish oil, b0.001, 100-3°, n20D 1.5229; oxime m. 218-19° (decomposition)(EtOH); semicarbazone, light yellow, m. 215-20° (EtOH); phenylhydrazone, yellow, m. 182° (EtOH). XII (10.0 g.), 100 cc. 50% EtOH, and 1 cc. concentrated HCl refluxed 1 h. gave 5.7 g. XIII, m. 87° (petr. ether), b0.001 93-7°. XII (22.4 g.) in 400 cc. EtOH refluxed 2 h. with ∼100 g. Raney Ni gave 11.8 g. di-Et acetal (XIV) of 6-methylpyrimidine-4-carboxaldehyde (XV), b0.001 61-5°, n20D 1.4655; oxime m. 150° (H2O); semicarbazone m. 217° (EtOH); phenylhydrazone, yellow, m. 120-1° (50% EtOH). XIV (50 g.) in 50 cc. 50% EtOH and 0.5 cc. concentrated HCl refluxed 1 h. gave 3.4 g. XV, m. 53° (petr. ether). V (19 g.), 18.8 g. MeC(:NH)NH2.HCl, and 42 g. K2CO2 in 150 cc. H2O kept 3 days yielded 9.9 g. 2,6-dimethylpyrimidine-4-carboxaldehyde di-Et acetal (XVI), b0.001 50-9°, n20D 1.4712-1.4737; oxime m. 213° (1:3 EtOH-H2O). I (15 g.) and 15.6 g. PhC(:NH)NH2.HCl in 40 cc. H2O treated dropwise with stirring at 30° with 5.6 g. KOH in 20 cc. H2O and kept 2 days yielded 5.0 g. 2-Ph analog of XVI, viscous, yellow oil, b0.001 110-19°; oxime m. 165-6°(50% EtOH). I (20.5 g.), 18.3 g. XI, and 60 cc. H2O treated dropwise during 0.5 h. at room temperature with 7.3 g. KOH in 25 cc. H2O, stirred 1 h. at 50°, and kept several days yielded 14.3 g. pale yellow di-Et acetal (XVII) of 2-methylthiopyrimidine-4-carboxaldehyde (XVIII), b0.001, 112-16°, n20D 1.5190; oxime m. 165° (50% EtOH); semicarbazone, yellowish, m. 224° (50% EtOH); phenylhydrazone, yellow, m. 192-4° (EtOH). XVII (6.0 g.) in 60 cc. 50% EtOH refluxed 40 min. with 0.9 cc. concentrated HCl gave 2.8 g. XVIII, m. 68° (petr. ether), b0.001 110-12°. I (31.2 g.) and 40.2 g. II heated 2.5 h. at 115° gave 27 g. III, b0.001 63-5°, n20D 1.4683. XVII (20 g.) in 400 cc. EtOH refluxed 2 h. with ∼90 g. Raney Ni gave 5.7 g. III, b0.001 65-7°, n20D 1.4683. III gave in air III.H2O, m. 93° (sublimed at 70-80°/8 mm.); oxime m. 153-4°; semicarbazone m. 212° (decomposition); phenylhydrazone, yellow, m. 168-9° (50% EtOH). I (15 g.), 10.8 g. MeC(:NH)NH2.HCl, and 20 cc. absolute EtOH treated with stirring at 40° with 2.6 g. Na in 40 cc. EtOH, and the mixture stirred 2 h. at 40° and refluxed 15 min. gave 10.8 g. 2-Me derivative (XIX) of III, b7 104°, n20D 1.4719, phenylhydrazone m. 172° (50% EtOH). XIX (5.8 g.), 80 cc. H2O, and 0.35 cc. concentrated H2SO4 heated 3 h. at 60° and 1 h. at 70° yielded 5.5 g. 2-Me derivative of IV.H2O, m. 66° (sublimed in vacuo at 30°). PhC(:NH)NH2.HCl (15.5 g.), 20 g. I, and 20 cc. absolute EtOH treated dropwise at room temperature with 2.3 g. Na in 60 cc. absolute EtOH, and the mixture stirred 1 h. and kept overnight gave 15.7 g. 2-Ph derivative (XX) of III, b0.002 123°, n20D 1.5506; oxime m. 138°; phenylhydrazone m. 211° (EtOH). XX (5.2 g.), 30 cc. 50% EtOH, and 0.45 g. concentrated HCl refluxed 40 min. yielded 1.2 g. 2-Ph derivative of IV, m. 118° (cyclohexane). I (8.6 g.), 2.6 g. urea, and 0.99 g. Na in 40 cc. absolute EtOH refluxed 6 h. gave 1.4 g. 2-OH derivative of III, m. 143-4° (EtOH). HN:C(NH2)2 carbonate (1.12 g.) in the min. amount 1:5 H2SO4-H2O, treated with aqueous Ba(OH)2, filtered, concentrated to 10 cc., and treated 24 h. with 2.5 g. I yielded 0.80 g. 2-NH2 derivative of III, m. 137-8° (EtOH). IV (1.0 g.) in 5 cc. absolute EtOH treated with a few drops aqueous KCN yielded 0.60 g. pyrimidoin, orange-yellow, decomposed ∼239° (1:1 EtOH-Me2SO).

After consulting a lot of data, we found that this compound(948552-36-1)Safety of 1H-Pyrazole-5-carbaldehyde can be used in many types of reactions. And in most cases, this compound has more advantages.

Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 1H-Pyrazole-5-carbaldehyde, is researched, Molecular C4H4N2O, CAS is 948552-36-1, about Improving iodine adsorption performance of porous organic polymers by rational decoration with nitrogen heterocycle.Formula: C4H4N2O.

Four kinds of porous aminal-linked organic polymers (PAOPs) were synthesized via one-step condensation between cheap melamine and resp. aldehydes decorated with different nitrogen heterocycle, to evaluate the influence of nitrogen heterocycle on the adsorption performance of target polymer toward iodine. Though having the smallest surface area of 209.9 m2/g, PAOP-4 decorated with pyridine group exhibits an adsorption capacity of 108 wt% (iodine/adsorbent weight%), surpassing other three PAOPs with Brunauer-Emmett-Teller area varying from 305.8 to 533.0 m2/g. Based on Raman spectral analyses, the characteristic band of I3- and I5- was used to evaluate the electronic interaction between iodine and the nitrogen heterocycle, giving an order of pyridine > tetrazole > pyrazole > imidazole. This manifests the vital role of chem. interaction playing in the iodine adsorption by PAOP-4, which is much helpful for designing high-performance organic adsorbent toward iodine.

After consulting a lot of data, we found that this compound(948552-36-1)Formula: C4H4N2O can be used in many types of reactions. And in most cases, this compound has more advantages.

Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 2,4-Dimethyl-1H-pyrrole, is researched, Molecular C6H9N, CAS is 625-82-1, about A BODIPY-based fluorescent sensor for the detection of Pt2+ and Pt drugs.HPLC of Formula: 625-82-1.

A boron-dipyrromethene (BODIPY) -based fluorescent sensor PS with an NO4S2 podand ligand was studied for the selective detection of Pt2+ over 21 cations as well as selected platinum drugs in aqueous medium. The platinum sensor PS shows 28-fold, 22-fold and 14-fold fluorescence turn-on enhancements to Pt2+, cisplatin and nedaplatin, and was thereby employed to detect platinum drugs in A-549 human lung cancer cells.

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Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 1H-Pyrazole-5-carbaldehyde( cas:948552-36-1 ) is researched.Safety of 1H-Pyrazole-5-carbaldehyde.Matyuska, Ferenc; May, Nora V.; Benyei, Attila; Gajda, Tamas published the article 《Control of structure, stability and catechol oxidase activity of copper(II) complexes by the denticity of tripodal platforms》 about this compound( cas:948552-36-1 ) in New Journal of Chemistry. Keywords: copper pyrazolylmethylaminoethylamine complex preparation ESR formation constant; crystal structure copper pyrazolylmethylaminoethylamine. Let’s learn more about this compound (cas:948552-36-1).

Copper(II) complexes of a new polydentate tripodal ligand trenpyz (L, tris[2-(5-pyrazolylmethyl)aminoethyl]amine) were characterized in both solution and solid states. A combined evaluation of potentiometric UV-Vis and EPR data provided both thermodn. and structural information on the complexes formed in solution In equimolar solution the highly stable square pyramidal CuHL and trigonal bipyramidal CuL are the dominant species at around pH 3 and 5-8, resp. Above pH 8 further deprotonation was observed (pK = 9.56), which is related to the formation of a copper(II)-bound pyrazolate anion. This creates the possibility for the formation of oligonuclear complexes, through pyrazolate bridges, and at a 3/2 Cu(II)/L ratio three trinuclear complexes were identified, similar to the copper(II)-tachpyz (N,N’,N”-tris(5-pyrazolylmethyl)-1,3,5-cis,cis-triamino-cyclohexane) system studied earlier. The trinuclear complexes of the two ligands have considerably different speciations, due to the different denticities of tripodal platforms. At the optimal pH the catechol oxidase activities of the triply deprotonated trinuclear complexes of trenpyz and tachpyz are similar, but the pH-rate constant profiles are significantly different, as a consequence of the deviations in their speciation. Consequently, the H2dtbc oxidation promoted by these trinuclear complexes can be easily controlled by the denticity of the tripodal ligands, since it affects the coordination environment of the central metal ion, which is proposed to be the main actor during the reaction.

After consulting a lot of data, we found that this compound(948552-36-1)Safety of 1H-Pyrazole-5-carbaldehyde can be used in many types of reactions. And in most cases, this compound has more advantages.

Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem