Category: 948552-36-1

Lv, Kai; Wu, Shuo; Tao, Zeyu; Wang, Aoyu; Xu, Shijie; Yang, Lu; Gao, Qiang; Wang, Apeng; Qin, Xiaoyu; Jiang, Bin; Wu, Wenhao; Jia, Xuedong; Li, Yuhuan; Jiang, Jiandong; Liu, Mingliang published an article about the compound: 1H-Pyrazole-5-carbaldehyde( cas:948552-36-1,SMILESS:O=CC1=CC=NN1 ).Product Details of 948552-36-1. 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.

A series of GYH2-18 derivatives I [X = NHC(O), NHC(S), NHC(O)Me, etc.], II [n = 1,2; R = CN, Ph, 4,4-dimethyl-2-oxopyrrolidin-1-yl, etc. R1 = H, Me, cyclopropyl, benzyl; R2 = H; R3 = H, Me; R1R2 = -(CH2)6-] were designed, synthesized and evaluated for their anti-HBV activity. Two compounds II [n = 1; R = Ph, 4-(1,3-oxazol-2-yl)-2-oxopyrrolidin-1-yl; R1 = cyclopropyl; R2 = H; R3 = H] exhibited excellent anti-HBV activity, low cytotoxicity and accepted oral PK profiles. Chiral separation of II [n = 1; R = Ph, 4-(1,3-oxazol-2-yl)-2-oxopyrrolidin-1-yl; R1 = cyclopropyl; R2 = H; R3 = H] was conducted successfully and (6S)-cyclopropyl DPPC isomers II (S,R/S,S) [n = 1; R = Ph, 4-(1,3-oxazol-2-yl)-2-oxopyrrolidin-1-yl; R1 = cyclopropyl; R2 = H; R3 = H] were identified to be much more active than the corresponding (6R)-ones. The preliminary structure-activity relationship, particle gel assay and mol. modeling studies were also discussed, which provide useful indications for guiding the further rational design of new (6S)-cyclopropyl DPPC analogs.

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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.Quality Control of 1H-Pyrazole-5-carbaldehyde.Malik, M. Shaheer; Asghar, Basim H.; Syed, Riyaz; Alsantali, Reem I.; Morad, Moataz; Altass, Hatem M.; Moussa, Ziad; Althagafi, Ismail I.; Jassas, Rabab S.; Ahmed, Saleh A. published the article 《Novel pyran-linked phthalazinone-pyrazole hybrids: synthesis, cytotoxicity evaluation, molecular modeling, and descriptor studies》 about this compound( cas:948552-36-1 ) in Frontiers in Chemistry (Lausanne, Switzerland). Keywords: pyran phthalazinyl pyrazolyl preparation antitumor docking physiochem mol descriptor; anticancer activity; molecular descriptors; molecular modelling; multicomponent; phthalazinone; pyran; pyrazole hybrids. Let’s learn more about this compound (cas:948552-36-1).

A series of novel pyran-linked phthalazinone-pyrazole hybrids I (R = H, Me; R1 = H, Me; X = CN, COOEt) were designed and synthesized by a facile one-pot three-component reaction employing 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)-3-oxopropanenitrile, 1H-pyrazole-5-carbaldehydes II, and active methylene compounds XCH2CN. Optimization studies led to the identification of L-proline and ethanol as efficient catalyst and solvent, resp. This was followed by evaluation of anticancer activity against solid tumor cell lines of lung and cervical carcinoma that displayed IC50 values in the range of 9.8-41.6μM. Mol. modeling studies were performed, and crucial interactions with the target protein were identified. The drug likeliness nature of the compounds and mol. descriptors such as mol. flexibility, complexity, and shape index were also calculated to understand the potential of the synthesized mols. to act as lead-like mol. upon further detailed biol. investigations as well as 3D-QSAR studies.

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In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Synthesis and evaluation of novel 1-(((6-substituted benzo[d]thiazol-2-yl)amino)(heteroaryl)methyl)naphthalen-2-ol as pesticidal agents, published in 2022, which mentions a compound: 948552-36-1, Name is 1H-Pyrazole-5-carbaldehyde, Molecular C4H4N2O, Product Details of 948552-36-1.

To discover new agrochems. with prominent pesticidal properties, a series of novel β-naphthol derivatives containing benzothiazolylamino and various heteroaryl groups I (R = H, CF3, Cl; Het = pyrazol-5-yl, imidazol-2-yl, pyrimidin-5-yl, etc.) were efficiently synthesized via Betti reaction. The bioassay results showed that most of the synthesized compounds exhibited favorable insecticidal potentials, particularly towards oriental armyworm (50-100% at 200 mg·L-1) and diamondback moth (50-95% at 10 mg·L-1). Some compounds possessed LC50 values of 0.0988-5.8864 mg·L-1 against diamondback moth. Compounds I (R = H; Het = 2-phenyl-2H-1,2,3-triazol-4-yl), I (R = H; Het = 6-chloroimidazo[1,2-a]pyridin-3-yl), I (R = H; Het = 6-bromoimidazo[1,2-a]pyridin-3-yl) also displayed lethality rates of 30-90% against spider mite at the concentration of 100 mg·L-1. Overall, some compounds could be considered as new insecticidal/acaricidal leading structures for further investigation. The calcium imaging experiments revealed that compound I (R = H; Het = 3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl), I (R = H; Het = 2-phenyl-2H-1,2,3-triazol-4-yl), and 1-((benzo[d]thiazol-2-ylamino)(4-methoxyphenyl)- Methyl)naphthalen-2-ol could activate the release of calcium ions in insect (M. separata) central neurons at a higher concentration (50 mg·L-1). The SAR anal. provided valuable information for further structural modifications.

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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 1H-Pyrazole-5-carbaldehyde, is researched, Molecular C4H4N2O, CAS is 948552-36-1, about A pyrazole-containing verdazyl radical ligand Meprv: structure of its precursor prvH3 and its bis(2,2′-bipyridine)ruthenium(II) complex, the main research direction is pyrazolyloxotetrazane preparation structure dehydrogenation; crystal structure pyrazolyloxotetrazane; ruthenium pyrazolyloxoverdazyl bipyridine complex preparation electrochem redox; verdazyl pyrazolyl ruthenium bipyridine complex preparation.Reference of 1H-Pyrazole-5-carbaldehyde.

Reaction between 1,1′-dimethyl carbonic dihydrazide and pyrazole-3-carboxaldehyde gave 1,5-dimethyl-3-(3′-pyrazolyl)-6-oxotetrazane (prvH3), which crystallizes in the orthorhombic space group Pca21, with a 10.7745(4), b 8.1745(2) and c 10.6625(3) Å. Dehydrogenation of prvH3 in methanol by 1,4-benzoquinone afforded the methylated radical 1,5-dimethyl-3-(1′-methyl-3′-pyrazolyl)-6-oxoverdazyl (Meprv), which reacted with cis-[Ru(bpy)2Cl2] and NaBPh4 to yield [Ru(bpy)2(Meprv)]2+ as its BPh4 salt. The absence of luminescence and the electrochem. behavior of this complex imply that the lowest 3MLCT (metal to ligand charge transfer) excited state is located on the electron-deficient Meprv ligand.

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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 Highly active binuclear Cu (II) catalyst bearing an unsymmetrical bipyridine-pyrazole-amine ligand for the azide-alkyne cycloaddition reaction.Related Products of 948552-36-1.

Ligands containing NH groups often show special characteristics. In this paper, a well-defined dinuclear Cu (II) complex bearing an unsym. bipyridine-pyrazole-amine ligand was synthesized by the condensation of N-H to release H2O. Using sodium L-ascorbate as a reductant, the binuclear complex showed excellent activity in 1,3-dipolar cycloaddition reactions between alkynes and azides to obtain 1,4-disubstituted triazoles in 95%-99% isolated yields.

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Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 948552-36-1, is researched, SMILESS is O=CC1=CC=NN1, Molecular C4H4N2OJournal, Huaxue Yanjiu called Theoretical study on the proton transfer in 3-formylpyrazole, Author is Chen, Yuanli; Li, Baozong; Guo, Yongmin, the main research direction is aldehyde pyrazole proton transfer theor study.Safety of 1H-Pyrazole-5-carbaldehyde.

The mol. structures of 3-formylpyrazole tautomers with full geometry optimization were calculated by the B3LYP method at the 6-311G** level. The geometry and electronic structures of the tautomers of 3-formylpyrazole and their transition states were obtained. The four possible reaction pathways were studied including: (a) intramol. proton transfer; (b) water-assisted intermol. transfer; isomerization by double-proton transfer in the dimer; and (d) intermol. proton transfer via the complex formed. The results of the calculation indicated that the N1-H form of the anti conformer was more stable than that of the N2-H form, and the process in (d) has the lowest activation energy (61.09 kJ/mol), whereas the N2-H form of the syn conformer is more stable than that of the N1-H form and the process in (c) has the lowest activation energy (52.78 kJ/mol). Probably the hydrogen bonds formed in the complexes played an important role in proton transfer processes in the latter three reaction pathways.

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Application In Synthesis of 1H-Pyrazole-5-carbaldehyde. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 1H-Pyrazole-5-carbaldehyde, is researched, Molecular C4H4N2O, CAS is 948552-36-1, about Mild regioselective iodination of pyrazoles using n-butyltriphenylphosphonium peroxodisulfate. Author is Gorjizadeh, M.; Afshari, M.; Naseh, M..

A practical, efficient and inexpensive method of synthesis of iodopyrazoles by the reaction of pyrazoles with iodine using n-butyltriphenylphosphonium peroxodisulfate as an oxidant at room temperature is reported. The use of n-butyltriphenylphosphonium peroxodisulfate is feasible due to its easy preparation and handling, high stability and activity.

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The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 1H-Pyrazole-5-carbaldehyde(SMILESS: O=CC1=CC=NN1,cas:948552-36-1) is researched.Reference of tert-Butyl 5-bromo-1H-indazole-1-carboxylate. The article 《Photoisomerization and hydrogen-bonding-induced association in 2-(1H-diazol-2-ylmethylene)indane-1-ones and 2-(1H-diazol-2-ylmethylene)-1H-indene-1,3(2H)-diones.》 in relation to this compound, is published in Tetrahedron. Let’s take a look at the latest research on this compound (cas:948552-36-1).

The products of condensation of 2-imidazolyl-, 4-imidazolyl-, 3-pyrazolylcarbaldehydes with indan-1-one 1-3 and 1H-indene-1,3(2H)-dione 4-6 were synthesized. The E-isomers of 1-3 undergo UV-induced isomerization to the Z-isomers stabilized by intramol. NH···O=C hydrogen bond with the pyrrolic-type NH group. Theor. anal. of all isomers, tautomers and rotamers showed that the degree of conjugation between the diazolyl group and the C=O group decreases in the order 1 > 2>3. Spectroscopic study of 1-6 performed before and after UV irradiation allowed to conclude on the nature of the associates formed. A remarkably different association of the 2- and 4-imidazolyl derivatives 4 and 5 was revealed by X-ray and confirmed theor., leading to the formation of the chelate rings closed by NH···O=C hydrogen bond in 4 or by N-H …Npyridinic hydrogen bond in 5. Both chelate rings include two bifurcate H-bonds with bifurcation on the carbonyl oxygen and the pyrrolic NH hydrogen.

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Recommanded Product: 1H-Pyrazole-5-carbaldehyde. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 1H-Pyrazole-5-carbaldehyde, is researched, Molecular C4H4N2O, CAS is 948552-36-1, about Slow relaxation of the magnetization observed in mononuclear Ln-radical compounds with D4d geometry configurations. Author is Chen, Peng Yun; Wu, Ming Ze; Liu, Zhong Yi; Tian, Li; Zhang, Yi Quan.

The combination of LnIII ions (GdIII, TbIII or DyIII) and a pyrazole nitronyl nitroxide radical results in three isomorphous complexes, namely, [Ln(hfac)3(NIT-Pyz)]2 (Ln = Gd(1), Tb(2), Dy(3); hfac = hexafluoroacetylacetone; NIT-Pyz = 2-{3-pyrazolyl}-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide). Single crystal X-ray diffraction studies revealed that all of them are composed of two crystallog. independent mononuclear systems, in which the central LnIII ions are coordinated by three hfac and one bidentate chelating NIT-Pyz radical. The central LnIII ions are all in square antiprism geometry (D4d) polyhedron configurations. Based on the spin Hamiltonian calculations, there exist antiferromagnetic couplings in the GdIII-NIT radical system in complex 1. Complexes 2 and 3 show frequency-dependent out-of-phase signals in a zero field indicating single-mol. magnetic behavior. Moreover, Tb’s complex (2) shows a single thermal relaxation process with an energy barrier of 26 K. For Dy’s complex (3), the Orbach and Raman processes both contribute to the magnetic relaxation behaviors.

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Subramanyam, Chakrapani published the article 《4-Methoxybenzyl, a versatile protecting group for the regiospecific lithiation and functionalization of pyrazoles》. Keywords: pyrazole regiochem metalation functionalization methoxybenzyl; lithiation pyrazole regiochem functionalization methoxybenzyl; pyrazolyl methanone regioselective synthesis.They researched the compound: 1H-Pyrazole-5-carbaldehyde( cas:948552-36-1 ).HPLC of Formula: 948552-36-1. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:948552-36-1) here.

The use of the 4-methoxybenzyl protecting group for the regiospecific metalation/functionalization of pyrazole was reported. The protection of 1H-pyrazole gave 1-[(4-methoxyphenyl)methyl]-1H-pyrazole which underwent regioselective lithiation to give 5-lithio-1-[(4-methoxyphenyl)methyl]-1H-pyrazole. Treatment of the latter with Et N-methoxy-N-methylcarbamate gave di-[1-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl] methanone. Deprotection of the latter gave the desired di(1H-pyrazol-3-yl) methanone.

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