Tag: M.W=100-150

Elif Ozturkkan Ozbek, Fureya; Ugurlu, Guventurk; Kalay, Erbay; Necefoglu, Hacali published the artcile< Synthesis, characterization and computational studies of 4-[(Pyridine-3-carbonyl)-hydrazonomethyl]-benzoic acid>, Reference of 93-60-7, the main research area is nicotinohydrazide mol structure hyperpolarizability dipole moment UV NMR IR.

A new hydrazone derivative compound, 4-[(Pyridine-3-carbonyl)-hydrazonomethyl]-benzoic acid, C15H11N3O, was obtained and characterized by 1H NMR, 13C NMR and UV-Vis, FT-IR and FT-Raman spectroscopy techniques. Mol. geometry, vibrational wavenumbers, frontier MO and non-linear optical (NLO) property of the title compound were calculated using ab initio Hartree-Fock (HF) and D. Functional Theory (DFT), employing B3LYP functional at 6-311++G (d,p) basis set. 1H and 13C NMR chem. shifts were calculated by using the gauge in dependent AO (GIAO) method at the HF and B3LYP methods with different basis sets. In addition, the HOMO and the LUMO were obtained from DFT LSDA methods with 6-311++G (d,p) basis set. The NLO behavior of the title compound has been studied by determining the elec. dipole moment (μ) and hyperpolarizability (β) using both B3LYP/6-311++G (d,p) and HF/6-311++G (d,p) methods. The energy gaps s(ΔEgap = ELUMO-EHOMO) of title mol. were calculated at 4.15, 2.77 and 9.81 eV with DFT-B3LYP/6-311++ G (d,p), DFT-LSDA/6-311++ G (d,p) and HF/6-311++ G (d,p) level of theory, resp. The calculated exptl. energy gap was found as 2.827 eV.

Journal of Molecular Structure published new progress about Conformational potential energy surface. 93-60-7 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO2, Reference of 93-60-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

den Hertog, H. J.; de Bruyn, J. published the artcile< Derivatives of pyridine and quinoline. LXXXVIII. Reactions of bromo derivatives of 2- and 3-ethoxypyridines when heated with hydrochloric acid>, Safety of 6-Chloropyridin-2-ol, the main research area is .

Following abstract When a bromoethoxypyridine (0.01 mole in 30-40 ml. 25% aqueous HCl) in a sealed tube is heated 4 hrs. at 160° in a shaking furnace, the Br is replaced by Cl when the former is in the 2- or 6-position, and the EtO group is replaced by the OH group. Thus 6-bromo-2-ethoxypyridine (I) gives 6-chloro-2-hydroxypyridine (II), m. 128.5-9°, and 2-bromo-3-ethoxypyridine (III) gives 2-chloro-3-hydroxypyridine, m. 169-70°, plus the corresponding dihydroxypyridines. The 3,5-di-Cl derivative of I yields 3,5,6-trichloro-2-hydroxypyridine, m. 174-5°. When the Br is in the 3- or 5-position it is not substituted by the procedure given. Thus 5-bromo-3-ethoxypyridine yields 5-bromo-3-hydroxypyridine. But either 3- or 5-bromo-2-ethoxypyridine yields mixtures of 3,5-dibromo-2-hydroxypyridine and 2-hydroxypyridine. As a further example of the positional reactivity of the Br, 2,5,6-tri-bromo-3-ethoxypyridine, m. 86-7°, prepared by heating 3-bromo-5-ethoxypyridine with Br in a sealed tube at 100°, gave 5-bromo-2,6-dichloro-3-ethoxypyridine, m. 77-8° with aqueous HCl. The EtO group in this case remained intact.

Recueil des Travaux Chimiques des Pays-Bas et de la Belgique published new progress about Chlorination. 73018-09-4 belongs to class pyridine-derivatives, and the molecular formula is C5H4ClNO, Safety of 6-Chloropyridin-2-ol.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Xie, Demeng; Wang, Yingwei; Zhang, Xia; Fu, Zhengyan; Niu, Dawen published the artcile< Alkyl/Glycosyl Sulfoxides as Radical Precursors and Their Use in the Synthesis of Pyridine Derivatives>, SDS of cas: 350-03-8, the main research area is pyridine alkyl regioselective preparation; alkyl glycosyl sulfoxide regioselective stereoselective photochem alkylation methoxypyridinium; Alkyl Sulfoxides; C-Glycosides; Electron Donor-Acceptor Complexes; Photochemistry; Radicals.

Here the use of simple and readily available alkyl sulfoxides as precursors to radicals and their application in the preparation of pyridine derivatives are reported. It was shown that alkyl sulfoxides, N-methoxy pyridinium salts and fluoride anions form electron donor-acceptor (EDA) complexes in solution, which, upon visible light irradiation, undergo a radical chain process to afford various pyridine derivatives smoothly. This reaction displays broad scope with respect to both sulfoxides and N-methoxy pyridinium salts. The synthetic versatility of sulfoxides as a handle in chem. adds to their power as radical precursors. Glycosyl sulfoxides are converted to the corresponding pyridyl C-glycosides with high stereoselectivities. Computational and exptl. studies provide insights into the reaction mechanism.

Angewandte Chemie, International Edition published new progress about Alkylation, regioselective. 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, SDS of cas: 350-03-8.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Subi, S.; Rose, S. Viola; Reji, T. F. Abbs Fen published the artcile< Synthesis, characterization, DFT study, molecular modelling and biological evaluation of novel 5-aryl-3-(pyridine-3-yl)isoxazole hybrids as potent anticancer agents with inhibitory effect on skin cancer>, Synthetic Route of 350-03-8, the main research area is pyridineyl isoxazole preparation antioxidant antitumor DFT human mol docking.

A novel series of pyridinyl isoxazole derivatives I [Ar = Ph, 4-ClC6H4, 4-MeC6H4, 4-MeOC6H4, PhCH=CH] was synthesized obtained from 5-aryl-3-(pyridine-3-yl)-2-propen-1-ones and hydroxylamine hydrochloride. Geometrical and electronic properties of pyridinyl isoxazole derivative were investigated by using B3LYP/6-31G (d.p) basis sets. The HOMO and LUMO anal. was used to determine the charge transfer within the mol. The pyridinyl isoxazole derivatives I exhibited good docking scores against liver cancer 4MMH. The results revealed clearly compound I [Ar = 4-ClC6H4] exhibited better radical scavenging ability. Among the synthesized pyridinyl isoxazole derivatives, compound I [Ar = 4-ClC6H4] was highly active on the SKMEL cell line (human skin cancer).

Asian Journal of Chemistry published new progress about Antioxidants. 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, Synthetic Route of 350-03-8.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Fanfoni, Lidia; Marsich, Eleonora; Turco, Gianluca; Breschi, Lorenzo; Cadenaro, Milena published the artcile< Development of di-methacrylate quaternary ammonium monomers with antibacterial activity>, Application of C6H8N2, the main research area is dimethacrylate quaternary ammonium monomer antibacterial activity; Antibacterial monomer; Cytotoxicity; MIC/MBC; Structure-activity relationship; bis-quaternary ammonium salt; di-methacrylate monomer.

Nine antibacterial di-methacrylate monomers based on bis-quaternary ammonium salts (bis-QAMs) were synthesized and structurally characterized. The biol. activity of the bis-QAMs was tested in terms of min. inhibitory concentration (MIC) and min. bactericidal concentration (MBC) on different bacterial strains achieving promising results and, in most cases, a complete bactericidal effect using a bis-QAM concentration lower than 1 mg/mL. Two of the structures showed comparable and superior activity against S. mutans than the com. monomer 12-methacryloyloxydodecyl pyridinium bromide (MDBP). All the bis-QAMs here described were able to inhibit S. mutans biofilm formation at a concentration equal to the MIC value. From the anal. of the obtained data, some correlation regarding the structure and the antibacterial activity of the bis-QAMs could be drawn: a flexible alkyl C12 spacer between the two quaternary ammonium moieties increased the monomer antibacterial effect in comparison to the aromatic ones; the equilibrium between hydrophobic and hydrophilic moieties was directly correlated to the bactericidal range of action; the increase of the steric hindrance of the ammonium side groups might be both advantageous or disadvantageous to the antibacterial efficacy depending on the whole monomer chem. structure. Even though the possible correlation between the monomer structures and their bacteriostatic or bactericidal effect is under investigation, the monomers exhibited low cytotoxicity on human dental pulp stem cells, confirming their promising potential in the dental materials′ field.

Acta Biomaterialia published new progress about Antibacterial agents. 3731-53-1 belongs to class pyridine-derivatives, and the molecular formula is C6H8N2, Application of C6H8N2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Ganguli, Kasturi; Shee, Sujan; Panja, Dibyajyoti; Kundu, Sabuj published the artcile< Cooperative Mn(I)-complex catalyzed transfer hydrogenation of ketones and imines>, Application In Synthesis of 350-03-8, the main research area is alc preparation chemoselective; ketone transfer hydrogenation manganese catalyst; aryl aldehyde transfer hydrogenation manganese catalyst; imine transfer hydrogenation manganese catalyst.

The synthesis and reactivity of Mn(I) complexes bearing bifunctional ligands comprising both the amine N-H and benzimidazole fragments I and II (R = H, Me; R1 = H, Me, phenyl; R2 = H, Me) are reported. Among the various ligands, the N-((1H-benzimidazol-2-yl)methyl)aniline ligand containing Mn(I) complex II (R = R2 = H; R1 = Ph) presented higher reactivity in the transfer hydrogenation (TH) of ketones R3C(O)R4 (R3 = Ph, thiophen-2-yl, cyclopropyl, etc.; R4 = Me, propan-2-yl, tert-Bu, etc.; R3R4 = 9H-fluoren-9-yl, 1,2,3,4-tetrahydronaphthalen-1-yl, cyclohexyl) in 2-propanol. Exptl., it was established that both the benzimidazole and amine N-H proton played a vital role in the enhancement of the catalytic activity. Utilizing this system, a wide range of ketones R3C(O)R4 and aldehydes R5CHO (R5 = 4-CH3C6H4, thiophen-2-yl, pentyl, etc.) was reduced efficiently. Notably, the TH of several imines R6R7C=NR8 (R6 = 4-OCH3C6H4, thiophen-2-yl, naphthalen-2-yl, etc.; R7 = H, Me, Et; R8 = C6H5, 4-OCH3C6H4, CH3(CH2)3, etc.), as well as chemoselective reduction of unsaturated ketones, was achieved in the presence of this catalyst. DFT calculations were carried out to understand the plausible reaction mechanism which disclosed that the transfer hydrogenation reaction followed a concerted outer-sphere mechanism.

Dalton Transactions published new progress about Alcohols Role: SPN (Synthetic Preparation), PREP (Preparation). 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, Application In Synthesis of 350-03-8.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Cheung, Chi Wai; Shen, Ni; Wang, Shao-Peng; Ullah, Asim; Hu, Xile; Ma, Jun-An published the artcile< Manganese-mediated reductive amidation of esters with nitroarenes>, Electric Literature of 93-60-7, the main research area is aryl amide; ester nitroarene reductive amidation.

A convenient and efficient method to synthesize N-aryl amides RNHC(O)R1 (R = 4-methylphenyl, 2H-1,3-benzodioxol-5-yl, quinolin-6-yl, etc; R1 = n-C6H13, cyclohexyl, 4-chlorophenyl, pyridin-3-yl, etc.) via amidation of esters R1C(O)OR2 (R2 = Et, benzyl, 2H-1,3-benzodioxol-5-ylmethyl, etc.) with nitroarenes RNO2 was reported. In the presence of manganese metal, this amidation proceeded smoothly without the need for addnl. catalysts or ligands. Various esters and nitroarenes are suitable substrates to afford a wide range of N-aryl amides, including bio-active mols. RNHC(O)R1 (R = 2-phenyl-1,3-benzoxazol-5-yl, R1 = Ph; R = 2-phenyl-1,3-benzoxazol-5-yl, R1 = benzyl) and intermediates I (X = H, Cl) to drug mols. e.g., II.

Organic Chemistry Frontiers published new progress about Amidation (reductive). 93-60-7 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO2, Electric Literature of 93-60-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Vikram, Venugopalarao; Amperayani, Karteek rao; Ummidi, Venkata Ravi Sankar; Parimi, Umadevi published the artcile< Synthesis, Anti-Microbial Activity, and Docking Studies of Novel N-Pyridine Substituted 2-Chlorothieno[2,3-d]pyrimidine Derivatives>, HPLC of Formula: 55279-29-3, the main research area is pyridine substituted chloro thienopyrimidinamine preparation antibacterial antifungal docking; acetyl coenzyme carboxylase inhibitor pyridine substituted chloro thienopyrimidinamine preparation.

A series of novel N-pyridine substituted 2-chloro-thieno[2,3-d]pyrimidin-4-amine derivatives I [Ar = 2-pyridyl, (3-methyl-2-pyridyl), (5-chloro-2-pyridyl), etc.] had been synthesized and characterized by 1H and 13C NMR spectrometry. All the compounds had been docked against acetyl-CoA carboxylase enzyme and also tested for their in vitro antimicrobial activity on Gram-pos. (Micrococcus luteus, staphylococcus aureus) and Gram-neg. bacteria (Salmonella typhi, klebsiella pneumoniae) and anti-fungal activity on aspergillus niger and fusarium oxysporum. All synthesized compounds have demonstrated moderate activity and two products have exhibited good antibacterial and antifungal activity.

Russian Journal of General Chemistry published new progress about Acetyl-coenzyme A carboxylase inhibitors. 55279-29-3 belongs to class pyridine-derivatives, and the molecular formula is C6H6N2O, HPLC of Formula: 55279-29-3.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Xie, Dongsheng; Lu, Jun; Xie, Jin; Cui, Junjun; Li, Teng-Fei; Wang, Yan-Chao; Chen, Yuan; Gong, Nian; Li, Xin-Yan; Fu, Lei; Wang, Yong-Xiang published the artcile< Discovery and analgesic evaluation of 8-chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione as a novel potent D-amino acid oxidase inhibitor>, Recommanded Product: 5-Fluoropyridine-2,3-diamine, the main research area is chlorodihydro pyridopyrazine dione preparation amino acid oxidase inhibitor; 5-Azaquinoxaline-2,3-diones; 8-Chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione; Analgesic effects; D-amino acid oxidase; DAAO inhibitors.

A series of 5-azaquinoxaline-2,3-dione derivatives were synthesized and evaluated on D-amino acid oxidase (DAAO) inhibition as potential α-hydroxylactam-based inhibitors. The potent inhibitory activities in vitro suggested that 5-nitrogen could significantly enhance the binding affinity by strengthening relevant hydrogen bond interactions. The analgesic effects of intrathecal and systemic injection of 8-chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione, a representative mol. of 5-azaquinoxaline-2,3-dione, were investigated in rodents. This research not only confirmed the analgesic effect of the DAAO inhibitors but provided a new class of chem. entities with oral application potential for the treatment of chronic pain and morphine analgesic tolerance.

European Journal of Medicinal Chemistry published new progress about Analgesics. 212268-13-8 belongs to class pyridine-derivatives, and the molecular formula is C5H6FN3, Recommanded Product: 5-Fluoropyridine-2,3-diamine.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Zhu, Huajian; Li, Wenlong; Shuai, Wen; Liu, Yang; Yang, Limei; Tan, Yuchen; Zheng, Tiandong; Yao, Hong; Xu, Jinyi; Zhu, Zheying; Yang, Dong-Hua; Chen, Zhe-Sheng; Xu, Shengtao published the artcile< Discovery of novel N-benzylbenzamide derivatives as tubulin polymerization inhibitors with potent antitumor activities>, Formula: C6H8N2, the main research area is colchicine binding antitumor safety profile; benzylbenzamide preparation cytotoxicity antitumor mol docking tubulin inhibitor; Anti-vascular; Antitumor; Druggability; N-benzylbenzamide; Tubulin inhibitors.

A series of novel N-benzylbenzamide derivatives I (R = dimethylaminyl, piperidin-1-yl, morpholin-4-yl, etc.; R1 = H, Cl, NO2, (pyridin-4-ylmethyl)aminyl, etc.; R2 = H, NO2; R3 = (3-hydroxy-4-methoxyphenyl)methyl, (3-fluoro-4-methoxyphenyl)methyl, pyridin-4-ylmethyl, etc.; R4 = H, Me), II (X = Y = N, CH) and III were designed and synthesized as tubulin polymerization inhibitors. Among fifty-one target compounds, I, II and III compound I [R = morpholin-4-yl; R1 = F; R2 = H; R3 = (3-hydroxy-4-methoxyphenyl)methyl; R4 = H] (IV) exhibited significant antiproliferative activities with IC50 values ranging from 12 to 27 nM against several cancer cell lines, and possessed good plasma stability and satisfactory physicochem. properties. Mechanism studies demonstrated that IV bound to the colchicine binding site and displayed potent anti-vascular activity. Notably, the corresponding disodium phosphate III exhibited an excellent safety profile with the LD50 value of 599.7 mg/kg (i.v. injection), meanwhile, it significantly inhibited tumor growth and decreased microvessel d. in liver cancer cell H22 allograft mouse model without obvious toxicity. Collectively, IV and III are novel promising anti-tubulin agents with more druggable properties and deserve to be further investigated for cancer therapy.

European Journal of Medicinal Chemistry published new progress about Amines Role: RCT (Reactant), RACT (Reactant or Reagent). 3731-53-1 belongs to class pyridine-derivatives, and the molecular formula is C6H8N2, Formula: C6H8N2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem