Tag: M.W=0-100

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 Proton NMR spectroscopy and magnetic properties of a solution-stable dicopper(II) complex bearing a single μ-hydroxo bridge, the main research direction is crystal structure copper dinuclear macrocycle hydroxo bridge; copper dinuclear macrocycle hydroxo bridge preparation structure NMR; proton NMR copper dinuclear macrocycle hydroxo bridge antiferromagnetic coupling; magnetic property copper dinuclear macrocycle hydroxo bridge; catechol oxidase model dicopper macrocycle hydroxo bridge.Synthetic Route of C4H4N2O.

The reaction of Cu(ClO4)2 with the macrocyclic ligand I ([22]py4pz) in the presence of base gives dinuclear [Cu2([22]py4pz)(μ-OH)](ClO4)3·H2O, in which two Cu ions are bridged by a single μ-hydroxo bridge. Each Cu ion is further surrounded by four N atoms of the ligand. The μ-hydroxo bridge mediates a strong antiferromagnetic coupling (2J = -691(35) cm-1) between the metal centers, leading to relatively sharp and well-resolved resonances in the 1H NMR spectrum of the complex in solution The authors herein report the crystal structure, the magnetic properties, and the full assignment of the hyperfine-shifted resonances in the NMR spectrum of the complex, deuterated and methylpyridine ligand derivatives, as well as the determination of the exchange coupling constant in solution through temperature-dependent NMR studies.

This compound(1H-Pyrazole-5-carbaldehyde)Synthetic Route of C4H4N2O was discussed at the molecular level, the effects of temperature and reaction time on the properties of the compound were discussed, and the optimum reaction conditions were selected.

Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Quality Control of 2,4-Dimethyl-1H-pyrrole. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 2,4-Dimethyl-1H-pyrrole, is researched, Molecular C6H9N, CAS is 625-82-1, about A molecular design for a turn-off NIR fluoride chemosensor. Author is Wang, Xiaochen; Bai, Tianxin; Chu, Tianshu.

We designed a turn-off near-IR fluorescent fluoride chemosensor NIR-BODIPY-Si through the d. functional theory/time-dependent functional theory calculations In the designed sensor, the tert-butyldimethylsilyloxy moiety responses to the fluoride-triggered desilylation process, and the BODIPY dye serves as fluorophore. The mol. design firstly showed that the possibility of photoinduced electron transfer is low/high in NIR-BODIPY-Si/NIR-BODIPY-O (the desilylation product), thus referring that the fluorescence sensing mechanism is a photoinduced electron transfer mechanism that quenched the sensors fluorescence after detection of fluoride anions. Absorption and emission spectra further demonstrated that the designed sensor is a near-IR chemosensor. The largest binding energy between NIR-BODIPY-Si and F- suggests that the sensor has an excellent selectivity to F- and the low barrier of the desilylation reaction accounts for the sensor′s rapid response speed to F-. We also provided the synthetic routine for the mol. sensor, with the expectation that this mol. design can shed some light on the exptl. based design procedure.

This compound(2,4-Dimethyl-1H-pyrrole)Quality Control of 2,4-Dimethyl-1H-pyrrole was discussed at the molecular level, the effects of temperature and reaction time on the properties of the compound were discussed, and the optimum reaction conditions were selected.

Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Schuitema, Anna M.; Aubel, Peter G.; Koval, Iryna A.; Engelen, Mireille; Driessen, Willem L.; Reedijk, Jan; Lutz, Martin; Spek, Anthony L. researched the compound: 1H-Pyrazole-5-carbaldehyde( cas:948552-36-1 ).Recommanded Product: 948552-36-1.They published the article 《Dinuclear copper(II) complexes of four new pyrazole-containing macrocyclic ligands are active catalysts in the oxidative coupling of 2,6-dimethylphenol》 about this compound( cas:948552-36-1 ) in Inorganica Chimica Acta. Keywords: crystal structure copper dinuclear complex pyrazole macrocycle; pyrazole macrocycle preparation complexation copper polymerization catalyst; polymerization methylphenol copper pyrazole macrocycle complex catalyst; copper pyrazole macrocycle dinuclear complex preparation structure polymerization catalyst. We’ll tell you more about this compound (cas:948552-36-1).

Four new macrocyclic ligands of varying ring size, I (R = n-Pr, 2-pyridylmethyl) and II (n = 6, 8) ([22]py4pz, [22]pr4pz, [18]py2pz and [20]py2pz, resp.) containing four or two endocyclic pyrazole groups, form dinuclear Cu compounds The single crystal x-ray structures of [Cu(pr2pz)(ClO4)2] (A), [Cu2([22]pr4pz)Cl4](MeOH) (B), [Cu4([18]py2pz)2(μ-Cl)4Cl2]Cl2 (C) and [Cu2([18]py2pz)(MeCN)4(ClO4)2](ClO4)2(MeCN)1.6 (D), show the pyrazole groups and the amine nitrogens all to be involved in the coordination of the Cu(II) ions. In the mononuclear compound A the Cu ion is in a distorted octahedral geometry, with the equatorial plane formed by four N donor atoms from the ligand and the axial positions occupied by two O atoms from monocoordinated perchlorate anions. In compound B each Cu ion is in a distorted square pyramidal environment, with the three ligand nitrogens and a chloride atom in the equatorial plane and another chloride atom in the axial position. The cation of compound C contains four Cu centers. Two bridging Cl atoms connect the two central Cu atoms to form a centrosym. four membered ring. Two macrocyclic units are present in the cation, each containing two Cu atoms bridged by a chloride atom. One Cu is 5-fold coordinated and the second Cu is distorted octahedral. In compound D both Cu(II) ions are in a distorted octahedral N5O environment, with the equatorial plane formed by the three ligand N’s and a N from an MeCN mol. A second MeCN mol. and a monocoordinated perchlorate anion are weakly bound in the axial positions. The Cu nitrate compounds of these new ligands are to some degree active catalysts in the polymerization (oxidative coupling) of 2,6-dimethylphenol with mol. dioxygen to poly(2,6-dimethyl-1,4-phenylene ether).

Different reactions of this compound(1H-Pyrazole-5-carbaldehyde)Recommanded Product: 948552-36-1 require different conditions, so the reaction conditions are very important.

Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 2,4-Dimethyl-1H-pyrrole(SMILESS: CC1=CNC(C)=C1,cas:625-82-1) is researched.Recommanded Product: 21778-81-4. The article 《Structurally Characterized BODIPY-Appended Oxidovanadium(IV) β-Diketonates for Mitochondria-Targeted Photocytotoxicity》 in relation to this compound, is published in ACS Omega. Let’s take a look at the latest research on this compound (cas:625-82-1).

Mixed-ligand oxidovanadium(IV) β-diketonates having NNN-donor dipicolylamine-conjugated to boron-dipyrromethene (BODIPY in L1) and diiodo-BODIPY (in L2) moieties, namely, [VO(L1)(acac)]Cl (1), [VO(L2)(acac)]Cl (2), and [VO(L1)(dbm)]Cl (3), where acac and dbm are monoanionic O,O-donor acetylacetone and 1,3-diphenyl-1,3-propanedione, were prepared, characterized, and tested for their photoinduced anticancer activity in visible light. Complexes 1 and 2 were structurally characterized as their PF6- salts (1a and 2a) by x-ray crystallog. They showed VIVN3O3 six-coordinate geometry with dipicolylamine base as the facial ligand. The non-iodinated BODIPY complexes displayed absorption maxima at ∼501 nm, while it is ∼535 nm for the di-iodinated 2 in 10% DMSO-PBS buffer medium (pH = 7.2). Complexes 1 and 3 being green emissive (λem, ∼512 nm; λex, 470 nm; ΦF, ∼0.10) in 10% aqueous DMSO were used for cellular imaging studies. Complex 3 localized primarily in the mitochondria of the cervical HeLa cells with a co-localization coefficient value of 0.7. The non-emissive diiodo-BODIPY complex 2 showed generation of singlet oxygen (ΦΔ ≈ 0.47) on light activation. Annexin-V assay showed singlet oxygen-mediated cellular apoptosis, making this complex a targeted photodynamic therapy agent.

Different reactions of this compound(2,4-Dimethyl-1H-pyrrole)Electric Literature of C6H9N require different conditions, so the reaction conditions are very important.

Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Name: 1H-Pyrazole-5-carbaldehyde. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 1H-Pyrazole-5-carbaldehyde, is researched, Molecular C4H4N2O, CAS is 948552-36-1, about Theoretical studies on tautomerism and IR spectra of pyrazole derivatives. Author is Jaronczyk, Malgorzata; Dobrowolski, Jan Cz.; Mazurek, Aleksander P..

Stability of two pyrazole tautomers monosubstituted at C5 position by various substituents was investigated at the MP2/6-311++G level. For each substituent studied, the energy difference between the two tautomers, expressed in terms of ΔE and ΔG, was calculated The F and OH substituents, the strongest electron donating groups, stabilize significantly the N2-H tautomer, whereas the CFO, COOH, and BH2, the strongest electron withdrawing groups, favor definitely the N1-H tautomer. As for monosubstituted imidazoles, only the most strongly acting substituents affect significantly the highest occupied π and σ orbitals. The other substituents introduce no noteworthy changes to the electronic structure. The calculated IR spectra form a basis for differentiation the two tautomers in their mixture

Different reactions of this compound(1H-Pyrazole-5-carbaldehyde)Name: 1H-Pyrazole-5-carbaldehyde require different conditions, so the reaction conditions are very important.

Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Name: 2,4-Dimethyl-1H-pyrrole. 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 A nitroolefin based thiol fluorescent probe: synthesis and application in bioimaging. Author is Guo, Zhenbo; Zheng, Xueyang; Li, Xueyan; Jia, Qingfei; Zhang, Pingzhu; Wei, Chao; Li, Xiaoliu.

Intracellular small-mol. thiols, such as cysteine (Cys), homocysteine (Hcy) and glutathione (GSH), play pivotal roles in several physiol. and pathol. processes. A bodipy-nitroolefin-conjugated fluorescent probe based on photoinduced electron transfer (PET) mechanism was designed and successfully constructed. The probe selectively responds to biothiols by Michael addition reaction of the sulfhydryl group to the double bond activated by Nitroolefin moiety and gives an off-on fluorescent response. The fluorescence detection limit for GSH was calculated to be 11×10-9 mol/L. The results of fluorescence confocal imaging indicated that the probe has appreciable cell permeability and can serve as a fluorescent probe for detecting biothiols in living cells and zebrafish.

Different reactions of this compound(2,4-Dimethyl-1H-pyrrole)Name: 2,4-Dimethyl-1H-pyrrole require different conditions, so the reaction conditions are very important.

Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Reference of 1H-Pyrazole-5-carbaldehyde. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: 1H-Pyrazole-5-carbaldehyde, is researched, Molecular C4H4N2O, CAS is 948552-36-1, about Synthesis of furan derivatives. LXXXVIII. Reactivity of tosylmethyl isocyanide towards azole carboxaldehydes. Author is Saikachi, Haruo; Kitagawa, Tokujiro; Sasaki, Hideaki; Van Leusen, Albert M..

Tosylmethyl isocyanide (I) reacted with azolecarbaldehydes, i.e., indole-2-carbaldehyde, pyrazole-3(5)-carbaldehyde, 3(5)-methylpyrazole-5(3)-carbaldehyde, 3(5)-(2-furyl)pyrazole-5(3)-carbaldehyde, 1,2,4-triazole-3(5)-carbaldehyde, and tetrazole-5-carbaldehyde, in the presence of an equimolar amount of K2CO3 in refluxing MeOH to yield 5-substituted oxazoles. Reaction of I with imidazole-2-carbaldehyde gave II (R = H, CHO) and imidazopyrimidine III, depending on the reaction conditions.

Different reactions of this compound(1H-Pyrazole-5-carbaldehyde)Reference of 1H-Pyrazole-5-carbaldehyde require different conditions, so the reaction conditions are very important.

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 《Synthesis of several pyrazole and 1,2,3-triazole derivatives of ethylamine and alanine》. Authors are Huttel, Rudolf; Schneiderhan, Trudl; Hertwig, Hermann; Leuchs, Annemarie; Reincke, Vivian; Miller, Johannes.The article about the compound:1H-Pyrazole-5-carbaldehydecas:948552-36-1,SMILESS:O=CC1=CC=NN1).SDS of cas: 948552-36-1. Through the article, more information about this compound (cas:948552-36-1) is conveyed.

A mixture of 2 g. 4-formyl-1-phenyl-1,2,3-triazole (I), 2.5 g. hippuric acid (II), 1 g. NaOAc and 4 g. Ac2O was heated on the steam bath 40 min., the cooled mixture filtered and the precipitate triturated with 200 ml. H2O. Recrystallization from EtOAc yielded 2.8 g. 2-phenyl-4-(1-phenyl-1,2,3-triazol-4-yl)methyleneoxazolin-5-one (III), m. 190°. III (3 g.) was refluxed 3 hrs. with 2 g. red P, 15 ml. Ac2O, and 15 ml. HI, P filtered off and the concentrated filtrate extracted with ether to remove C6H5CO2H, the filtrate was then neutralized with NH3 and 64% crude 2-(1-phenyl-1,2,3-triazol-4-yl)alanine, m. 277°, was collected and purified by dissolving in aqueous NH3, removing the excess base and neutralizing with hot HCl. Similarly, condensation of 10 g. crude 3-formylpyrazole, m. 121-4°, with II yielded 15.3 g. 2-phenyl-4-(1-acetyl-3-pyrazolyl)methyleneoxazolin-5-one (IV), m. 177-8° (from EtOH). IV (15 g.) with HI yielded 4.2 g. 2-(3-pyrazolyl)alanine, m. 235°. 2-(3-methyl-5-pyrazolyl)alanine, m. 275-6°, was obtained by condensing 3-methyl-5-formylpyrazole with II and treating the azlactone, m. 160-2°, with HI. 1-Methyl-4-formyl-1,2,3-triazole and II yielded an azlactone, m. 215° (from CHCl3 or EtOAc), converted with HI to (1-methyl-1,2,3-triazol-4-yl)alanine, m. 288-90°. III, with hot dilute aqueous NaOH yielded 70% α-benzoylamino-β-(1-phenyl-1,2,3-triazol-4-yl)acrylic acid (V), m. 202-4°. Catalytic hydrogenation of V with PtO2 gave the corresponding propionic acid, m. 192.5° (decomposition). β-(1-phenyl-1,2,3-triazol-4-yl)-ethylamine oxalate, m. 197°, and the HCl salt, m. 197-8°, were prepared by the condensation of I with MeNO2 in the presence of HOAc and C5H10N, hydrogenation with Pd-C of the resulting nitroethylene derivative, m. 198-7°, to the oxime, m. 143°, followed by hydrogenation of PtO2 in the presence of (CO2H)2. A bis(piperidine) adduct of I, m. 131-2°, was obtained in 85% yield on storing I with piperidine in EtOH at room temperature for 1 day, evaporating the solvent and recrystallizing from petr. ether. I plus NH4Ac and HOAc yielded a compound (VI), m. 140° (from EtOAc) for which the structure RCH(OH)N:CHR (R = 1-phenyl-1,2,3-triazol-4-yl) was suggested. Addition of MeNO2 to VI yielded RCH(CH2NO2)N: CR (R as above), m. 170°. Using the rhodanine method of Sheehan and Robinson (C.A. 43, 6620c) β-(3-methyl-5-pyrazolyl)ethylamine and its oxalate, m. 168°, were prepared through the following intermediates: 5-(3-methyl-5-pyrazolyl)methylenerhodanine, m. approx. 318° (decomposition); 3-methyl-5-pyrazolylpyruvic acid, m. 178° (oxime, m. 196.5°); (N-acetyl-3-methyl-5-pyrazolyl)acetonitrile, m. 68°. Similarly, β-(1-methyl-1,2,3-triazol-4-yl)ethylamine and its oxalate, m. 156.5°, were prepared through the following intermediates: 5-(1-methyl-1,2,3-triazol-4-yl)methylenerhodanine, m. 315° (decomposition); (1-methyl-1,2,3-triazol-4-yl)pyruvic acid oxime, m. 155° (decomposition); (1-methyl-1,2,3-triazol-1-yl)acetonitrile, m. 73-73.5°; N-acetyl-2-(1-methyl-1,2,3-triazol-4-yl)ethylamine, m. 102-3°.

Different reactions of this compound(1H-Pyrazole-5-carbaldehyde)SDS of cas: 948552-36-1 require different conditions, so the reaction conditions are very important.

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 water soluble carbazolyl-BODIPY photosensitizer with an orthogonal D-A structure for photodynamic therapy in living cells and zebrafish.Safety of 2,4-Dimethyl-1H-pyrrole.

A novel photosensitizer carbazolyl-BODIPY (Cz-BODIPY) with an orthogonal donor-acceptor structure was developed for photodynamic therapy (PDT). The photosensitizer Cz-BODIPY showed strong singlet oxygen sensitizing capability (F = 0.68 in MeOH), excellent water solubility in dilute solution, and high photostability. The photosensitizer Cz-BODIPY exhibited negligible dark cytotoxicity and high phototoxicity (IC50 0.45μM). Cz-BODIPY could induce cell apoptosis upon light illumination. Three cell states including living cells, apoptotic cells, and dead cells in the PDT process of Cz-BODIPY were determined via the Hoechst 33342/PI dual staining assays. The ROS (reactive oxygen species) generation in living cells during the PDT process of Cz-BODIPY was captured by the ROS detector, dihydroethidium (DHE). The photosensitizer Cz-BODIPY could be assimilated by zebrafish to generate ROS and diminish the integrity of zebrafish tissue upon light illumination. Tumor cell growth could be inhibited by Cz-BODIPY upon light illumination. The photosensitizer Cz-BODIPY displayed potential in real PDT application.

《A water soluble carbazolyl-BODIPY photosensitizer with an orthogonal D-A structure for photodynamic therapy in living cells and zebrafish》 provides a strategy for the preparation of materials with excellent comprehensive properties, which is conducive to broaden the application field of this compound(2,4-Dimethyl-1H-pyrrole)Safety of 2,4-Dimethyl-1H-pyrrole.

Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Oezcan, Emrah; Dedeoglu, Burcu; Chumakov, Yuri; Guerek, Ayse Guel; Zorlu, Yunus; Cosut, Buenyemin; Menaf Ayhan, Mehmet researched the compound: 2,4-Dimethyl-1H-pyrrole( cas:625-82-1 ).COA of Formula: C6H9N.They published the article 《Halogen-Bonded BODIPY Frameworks with Tunable Optical Features**》 about this compound( cas:625-82-1 ) in Chemistry – A European Journal. Keywords: halogen bonded BODIPY preparation crystal structure fluorescence; optical band gap DFT halogen bonded BODIPY; BODIPY; fluorescence enhancement; halogen bonding; solid-state assemblies; tunable optical features. We’ll tell you more about this compound (cas:625-82-1).

The ability to tune the optical features of BODIPY materials in the solid state is essential for their photorelated application and requires efficient control of the crystal packing. Such control of BODIPY supramol. assemblies was achieved by deliberate design and synthesis of a BODIPY containing a strong halogen-bond (XB) acceptor (-NO2) and donor (I, Br) to mediate XB interactions. The di-halogenated structures formed isostructural monocoordinate motif B3, B4 (1D tubular structure) and sym. bifurcated motif B4-II (1D zigzag chains structure) through N-O···I, Br XB interactions. These XB interactions promote singlet-to-triplet intersystem crossing and triplet-to-singlet reverse intersystem crossing due to partial delocalization of oxygen electrons onto Br and I, which leads to unexpected fluorescence enhancement of B4-II. Finally, the indirect optical band gaps of B3, B4 and B4-II were amenable to tuning at 1.85-2.50 eV by XB-driven crystal packings.

《Halogen-Bonded BODIPY Frameworks with Tunable Optical Features**》 provides a strategy for the preparation of materials with excellent comprehensive properties, which is conducive to broaden the application field of this compound(2,4-Dimethyl-1H-pyrrole)COA of Formula: C6H9N.

Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem