Month: October 2022

Yakhontov, L. N.; Azimov, V. A.; Lapan, E. I. published the artcile< Reactivity of isomeric azaindoles>, HPLC of Formula: 23612-36-4, the main research area is indoles aza; pyridines; azaindoles; furopyridines; pyrrolopyridines; pyridines pyrrolo.

Treatment of the pyridine I (R = 6-Cl) with NH3 in EtOH 4 hrs. at 200° yielded 71.5% 5-azaindoline (II) (R = 6-Cl, R1 = H), m. 106-7° (EtOAc), b1·5 152-4°. The azabenzofuran III (R = 6-OH) heated 8 hrs. at 190° with 3 molar equivalents PhCH2NH2 yielded 72% II (R = 6-OH, R1 = CH2Ph), m. 187-8° (dioxane), transformed by heating 5 hrs. at 150° with POCl3 into II (R = 6-Cl, R1 = CH2Ph), m. 75-6° (EtOAc). This reduced over Pd-C gave II (R = R1 = H) (IV), m. 102-3° (C6H12), dehydrogenated by heating 15 min. (N atm.) with 9% Pd-C at 2 5-25° to yield 70.5% 5-azaindole (V), m. 109.5-10.0° (H2O). III (R = OH) heated 8 hrs. at 250° with PhNH2 gave 78.8% II (R = 6-OH, R1 = Ph), m. 215-16° (EtOH), converted via II (R = 6-Cl, R1 = Ph), m. 99-100° (EtOH) into II (R = H, R1 = Ph), m. 59-60° (petroleum ether) and dehydrogenated at 255-65° to yield 80.7% 1-phenyl-5-azaindole (VI), m. 58-9° (petroleum ether). Condensation of 2-methyl-3-nitropyridine with (CO2Et)2 in the presence of EtOK in C6H6 at 25° 24 hrs. and the product, 70% Et3-nitro-2-pyridylpyruvate, m. 126-7°, reduced in EtOH over 9% Pd-C gave quant. Et 4-azaindole-2-carboxylate, m. 173-3.5°, saponified to 4-azaindole-2-carboxylic acid (VII), m. 302-3° (decomposition). Similarly, 2-methyl-3-nitro-6-ethoxypyridine, m. 39-40°, gave 58.8% Et 3-nitro-6-ethoxy-2-pyridylpyruvate, m. 131-2° (alc.), which gave 93% Et 5-ethoxy-4-azaindole-2-carboxylate, m. 148-9.5° (alc.) and then, via the corresponding acid, m. 300° (decomposition), 5-ethoxy-4-azaindole (VIII), m. 148-50°. Nitration, bromination, cyanomethylation and the Mannich reaction were used as electrolytic substitution reactions and carried out under conditions which had given the best yields for the corresponding 7-azaindole derivatives The cyanomethylated products were converted into azoindolyl-3-acetic acids. The Mannich reactions were carried out with 20% paraformaldehyde and 3 molar equivalents Me2NH.-HCl in refluxing BuOH; % yields and m.p. for the 3-substituted products were tabulated. π-Electron d. effects were discussed.

Tetrahedron Letters published new progress about Reactivity (chemical). 23612-36-4 belongs to class pyridine-derivatives, and the molecular formula is C7H5BrN2, HPLC of Formula: 23612-36-4.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Qiu, Xu; Yang, Xiaoxue; Zhang, Yiqun; Song, Song; Jiao, Ning published the artcile< Efficient and practical synthesis of unsymmetrical disulfides via base-catalyzed aerobic oxidative dehydrogenative coupling of thiols>, Recommanded Product: 1,2-Di(pyridin-2-yl)disulfane, the main research area is disulfide green preparation; thiol oxidative dehydrogenative coupling base catalyst.

An efficient M2CO3-catalyzed (M = K or Cs) aerobic cross dehydrogenative coupling reaction of thiols to afford unsym. disulfides RSSR1 [R = 4-MeC6H4, 2-pyridyl, 4-ClC6H4CH2, etc.; R1 = t-Bu, Bn, 2-naphthyl, etc.] was described. The high atom-economy, easy accessibility of catalyst, O2 as the ideal green oxidant, mild reaction conditions and broad substrate scope demonstrated that the present methodol. as a green, attractive and practical approach to disulfides.

Organic Chemistry Frontiers published new progress about Disulfides Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 2127-03-9 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2S2, Recommanded Product: 1,2-Di(pyridin-2-yl)disulfane.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Guo, Zi-Qiong; Xu, Hui; Wang, Xing; Wang, Zhen-Yu; Ma, Biao; Dai, Hui-Xiong published the artcile< C3-Arylation of indoles with aryl ketones via C-C/C-H activations>, Application In Synthesis of 1428537-19-2, the main research area is arylindole preparation regioselective; indole aryl ketone arylation palladium catalyst carbon hydrogen activation.

C3-Arylation of indoles with aryl ketones is accomplished via palladium-catalyzed ligand-promoted Ar-C(O) cleavage and subsequent C-H arylation of indole. Various (hetero)aryl ketones are compatible in this reaction, affording the corresponding 3-arylindoles in moderate to good yields. Further introduction of an indole moiety into the natural products desoxyestrone and evodiamine demonstrate the synthetic utility of this protocol.

Chemical Communications (Cambridge, United Kingdom) published new progress about Aryl ketones Role: RCT (Reactant), RACT (Reactant or Reagent). 1428537-19-2 belongs to class pyridine-derivatives, and the molecular formula is C13H15F3N2O, Application In Synthesis of 1428537-19-2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Lin, Qiao; Fu, Yue; Liu, Peng; Diao, Tianning published the artcile< Monovalent Nickel-Mediated Radical Formation: A Concerted Halogen-Atom Dissociation Pathway Determined by Electroanalytical Studies>, HPLC of Formula: 366-18-7, the main research area is monovalent Nickel Mediated radical; concerted Halogen Atom dissociation pathway electroanal.

The recent success of nickel catalysts in stereoconvergent cross-coupling and cross-electrophile coupling reactions partly stems from the ability of monovalent nickel species to activate C(sp3) electrophiles and generate radical intermediates. This electroanal. study of the commonly applied (bpy)Ni catalyst elucidates the mechanism of this critical step. Data rule out outer-sphere electron transfer and two-electron oxidative addition pathways. The linear free energy relationship between rates and the bond-dissociation free energies, the electronic and steric effects of the nickel complexes and the electrophiles, and DFT calculations support a variant of the halogen-atom abstraction pathway, the inner-sphere electron transfer concerted with halogen-atom dissociation This mechanism accounts for the observed reactivity of different electrophiles in cross-coupling reactions and provides a mechanistic rationale for the chemoselectivity obtained in cross-electrophile coupling over homocoupling.

Journal of the American Chemical Society published new progress about Computational chemistry. 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, HPLC of Formula: 366-18-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Wang, Chih-Feng; Cheng, Zhihua; O’Callahan, Brian T.; Crampton, Kevin T.; Jones, Matthew R.; El-Khoury, Patrick Z. published the artcile< Tip-Enhanced Multipolar Raman Scattering>, Safety of 1-Hexadecylpyridin-1-ium chloride, the main research area is Tip Enhanced multipolar raman scattering; image thiobenzonitrile functionalized plasmonic gold nanocubes.

We record nanoscale chem. images of 4-thiobenzonitrile (TBN)-functionalized plasmonic gold nanocubes via tip-enhanced Raman spectroscopy (TERS). The spatially averaged optical response is dominated by conventional (dipolar) TERS scattering from TBN but also contains weaker spectral signatures in the 1225-1500 cm-1 region. The weak optical signatures dominate several of the recorded single-pixel TERS spectra. We can uniquely assign these Raman-forbidden transitions to multipolar Raman scattering, which implicates spatially varying enhanced elec. field gradients at plasmonic tip-sample nanojunctions. Specifically, we can assign observations of tip-enhanced elec. dipole-magnetic dipole as well as elec. dipole-elec. quadrupole driven transitions. Multipolar Raman scattering and local optical field gradients both need to be understood and accounted for in the interpretation of TERS spectral images, particularly in ongoing quests aimed at chem. reaction mapping via TERS.

Journal of Physical Chemistry Letters published new progress about Density functional theory (PBE). 123-03-5 belongs to class pyridine-derivatives, and the molecular formula is C21H38ClN, Safety of 1-Hexadecylpyridin-1-ium chloride.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Li, Deping; Liu, Wenwu; Huang, Yaoguan; Liu, Mingyue; Tian, Caizhi; Lu, Hongyuan; Jia, Hui; Xu, Zihua; Ding, Huaiwei; Zhao, Qingchun published the artcile< Facile synthesis of C1-substituted β-carbolines as CDK4 inhibitors for the treatment of cancer>, Quality Control of 3731-53-1, the main research area is beta carboline preparation SAR antitumor human CDK4 inhibitor; CDK4; HCT116; Harmine; β-carboline.

Cyclin-dependent kinase 4 (CDK4), which is involved in dynamic regulation of cell cycle, has gained particularly attention for its role in controlling tumor growth. Increasing evidence showed that β-carboline derivatives have the potential to inhibit CDK4. Herein, on the basis of previous work, authors designed and synthesized a series of novel β-carbolines and evaluated their antitumor activity. Among them, compounds I and II, with the most potent anti-proliferative activity and CDK4 enzymic inhibition activity, were selected for further pharmacol. research in vitro and in vivo. The results in vitro showed that I and II exhibited potent anti-HCT116 activity including inhibition of colony formation, inhibition of invasion and migration, inducing of apoptosis, and arresting of G1 phase in cell cycle. In vivo, I showed significant tumor growth inhibition in HCT116 tumor xenograft model without causing significant weight loss and toxicity consistent with the acute toxicity test. In addition, silico study showed I and II not only have good biol. actions, but also acceptable predicted ADME and physicochem. properties. Taken together, compounds I and II could be selected for further modification and preclin. evaluation.

Bioorganic 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, Quality Control of 3731-53-1.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Kelly, Terence A.; McNeil, Daniel W.; Rose, Janice M.; David, Eva; Shih, Cheng-Kon; Grob, Peter M. published the artcile< Novel Non-Nucleoside Inhibitors of Human Immunodeficiency Virus Type 1 Reverse Transcriptase. 6. 2-Indol-3-yl- and 2-Azaindol-3-yldipyridodiazepinones>, Recommanded Product: 3-Bromo-1H-pyrrolo[3,2-c]pyridine, the main research area is indolyldipyridodiazepinone preparation HIV1 reverse transcriptase inhibitor; HIV1 reverse transcriptase inhibitor indolyldipyridodiazepinone structure.

Modification of the non-nucleoside inhibitor of HIV-1 reverse transcriptase nevirapine (Viramune) by incorporation of a 2-indolyl substituent confers activity against several mutant forms of the enzyme.

Journal of Medicinal Chemistry published new progress about Antiviral agents. 23612-36-4 belongs to class pyridine-derivatives, and the molecular formula is C7H5BrN2, Recommanded Product: 3-Bromo-1H-pyrrolo[3,2-c]pyridine.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Handa, Sachin; Andersson, Martin P.; Gallou, Fabrice; Reilly, John; Lipshutz, Bruce H. published the artcile< HandaPhos: A General Ligand Enabling Sustainable ppm Levels of Palladium-catalyzed Cross-Couplings in Water at Room Temperature>, HPLC of Formula: 13472-84-9, the main research area is monophosphine palladium catalyst coupling Suzuki Miyaura; E Factor; Suzuki-Miyaura coupling; green chemistry; ligand design; micellar catalysis.

The new monophosphine ligand HandaPhos was identified such that when complexed in a 1:1 ratio with Pd(OAc)2, enables Pd-catalyzed cross-couplings to be run using ≤1000 ppm of this pre-catalyst. Applications to Suzuki-Miyaura reactions involving highly functionalized reaction partners are demonstrated, all run using environmentally benign nanoreactors in water at ambient temperatures Comparisons with existing state-of-the-art ligands and catalysts are discussed herein.

Angewandte Chemie, International Edition published new progress about Cross-coupling reaction. 13472-84-9 belongs to class pyridine-derivatives, and the molecular formula is C6H6ClNO, HPLC of Formula: 13472-84-9.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Budweg, Svenja; Wei, Zhihong; Jiao, Haijun; Junge, Kathrin; Beller, Matthias published the artcile< Iron-PNP-Pincer-Catalyzed Transfer Dehydrogenation of Secondary Alcohols>, SDS of cas: 350-03-8, the main research area is iron PNP pincer catalyst transfer dehydrogenation secondary alc; ketone preparation mol modeling; homogeneous catalysis; iron; oxidation; pincer ligands; transfer dehydrogenation.

The well-defined iron PNP pincer complex catalyst [Fe(H)(BH4)(CO)(HN{CH2CH2P(iPr)2}2)] was used for the catalytic dehydrogenation of secondary alcs. to give the corresponding ketones. Using acetone as inexpensive hydrogen acceptor enables the oxidation with good to excellent yields. DFT computations indicate an outer-sphere mechanism and support the importance of an acceptor to achieve this transformation under milder conditions.

ChemSusChem published new progress about Dehydrogenation catalysts. 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

Cadena, Myrna; Froenicke, Lutz; Britton, Monica; Settles, Matthew L.; Durbinjohnson, Blythe; Kumimoto, Emily; Gallardo, Rodrigo A.; Ferreiro, Aura; Chylkova, Tereza; Zhou, Huaijun; Pitesky, Maurice published the artcile< Transcriptome analysis of Salmonella heidelberg after exposure to cetylpyridinium chloride, acidified calcium hypochlorite, and peroxyacetic acid>, Formula: C21H38ClN, the main research area is transcriptome cetylpyridinium chloride calcium hypochlorite peroxyacetic acid Salmonella infection; Differential gene expression; Disinfectant; Poultry processing; RNA sequencing.

The application of RNA sequencing in com. poultry could facilitate a novel approach toward food safety with respect to identifying conditions in food production that mitigate transcription of genes associated with virulence and survivability. In this study, we evaluated the effects of disinfectant exposure on the transcriptomes of two field isolates of Salmonella Heidelberg (SH) isolated from a com. broiler processing plant in 1992 and 2014. The isolates were each exposed sep. to the following disinfectants commonly used in poultry processing: cetylpyridinium chloride (CPC), acidified calcium hypochlorite (aCH), and peroxyacetic acid (PAA). Exposure times were 8 s with CPC to simulate a poultry processing dipping station or 90 min with aCH and PAA to simulate the chiller tank in a poultry processing plant at 4°C. Based on comparison with a publicly available annotated SH reference genome with 5,088 genes, 90 genes were identified as associated with virulence, pathogenicity, and resistance (VPR). Of these 90 VPR genes, 9 (10.0%), 28 (31.1%), and 1 (1.1%) gene were upregulated in SH 2014 and 21 (23.3%), 26 (28.9%), and 2 (2.2%) genes were upregulated in SH 2014 challenged with CPC, aCH, and PAA, resp. This information and previously reported MICs for the three disinfectants with both SH isolates allow researchers to make more accurate recommendations regarding control methods of SH and public health considerations related to SH in food production facilities where SH has been isolated. For example, the MICs revealed that aCH is ineffective for SH inhibition at regulatory levels allowed for poultry processing and that aCH was ineffective for inhibiting SH growth and caused an upregulation of VPR genes.

Journal of Food Protection published new progress about Cell invasion. 123-03-5 belongs to class pyridine-derivatives, and the molecular formula is C21H38ClN, Formula: C21H38ClN.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem