Day: December 7, 2022

Singh, Yogendra Pratap published the artcileMolecular structures, spectral, electrochemical, DFT and antioxidant activities of copper(II) complexes with NNO donor Schiff base ligand, Application In Synthesis of 91-02-1, the publication is Journal of Molecular Structure (2021), 129457, database is CAplus.

The synthesis and solid state structural, spectral and electrochem. solution characterization of [Cu(L)(acpy)]ClO₄ 1 and [Cu(L)(NO₃)] 2 [where L = N’-[(E)-phenyl(pyridin-2-yl)methylidene]thiophene-2-carbohydrazide and acpy = 2,6-Diacetylpyridine] were done by elemental anal., UV-visible, FTIR, electrochem. techniques (CV and DPV) and EPR spectroscopy. The single crystal structures were solved by the x-ray diffraction technique. In complex 1, copper ion is in a distorted octahedral environment. The geometry of copper(II) in complex 2 is distorted square pyramidal (τ = 0.201). The mono deprotonated, HL ligand act as a tridentate to a copper(II) ion. On the basis of d. functional theory (DFT) calculation, the electronic excitations involve transitions mainly from metal ligand bonding mostly the α-LUMO within the dominant Cu d_xy character and to α-LUMO+1. EPR spectra for polycrystalline samples showed the copper(II) hyperfine features as well as half-field signal which are appropriate for ΔM_s = ±2 of dimers. Presence of half-field signal in 1 is due to solid-solid interaction (intra-mol.) where as in 2 the nature of interaction is intra-mol. The antioxidant superoxide measurements show that the both complexes 1 and 2 behave as superoxide mimic in alk. nitro blue tetrazolium chloride assay.

Journal of Molecular Structure published new progress about 91-02-1. 91-02-1 belongs to pyridine-derivatives, auxiliary class Pyridine,Benzene,Ketone, name is Phenyl(pyridin-2-yl)methanone, and the molecular formula is C5H10Cl3O3P, Application In Synthesis of 91-02-1.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Singh, Y. published the artcileNon-covalent interactions governing the supramolecular assembly of copper(II) complexes with hydrazone-type ligand: Experimental and quantum chemical study, Safety of Phenyl(pyridin-2-yl)methanone, the publication is Polyhedron (2021), 115142, database is CAplus.

Two new mono- and one binuclear μ-nitrato bridged Cu(II) complexes [Cu(L)(HL)]ClO₄ (1), [Cu(HL)(NO₃)(H₂O)]2NO₃•H₂O (2) and [Cu₂(L₂)(μ-NO₃)₂] (3), with an unsym. NNO donor Schiff base (HL) were synthesized and characterized by elemental anal., FTIR, CV, UV-visible and EPR spectroscopy. Their mol. structures were also determined by single crystal x-ray crystallog. In the binuclear complex 3, the Cu··· Cu distance is 3.494 Å. In 1, 2 and 3, the Cu(II) centers have distorted square pyramidal geometry (τ₅ = 0.05-0.17). Evidence of weak π···π stacking intermol. interactions along with other noncovalent interactions (H bonding) was observed by analyzing the resp. crystal structures of the complexes. Thus, these H bonds, π···π stacking interactions and other weak intermol. interactions establish as supramol. architectures a crystalline network environment. The noncovalent interactions were also studied by employing Hirshfeld Anal. The room temperature magnetic moments of the mononuclear complexes are less than the spin only values which are indicative of small interactions. Also, significant magnetic interactions were not exhibited by binuclear Cu(II) complex 3 in the variable temperature magnetic measurements. The X-band EPR spectra of all three complexes exhibit Cu(II) hyperfine structures as well as zero-field splitting which are appropriate for the triplet states of dimers. In 1 and 2, the presence of pseudo dipolar interactions is proposed. Quantum chem. calculations (DFT) were carried out on complexes 1–3 to explore the electronic and spectral properties of these newly synthesized complexes. These complexes show significant antiproliferative and SOD activity. The SOD activity measured in terms of k_McCF is in the range 4.94-12.31 (mol L)^-1s^-1 x 10⁴.

Polyhedron published new progress about 91-02-1. 91-02-1 belongs to pyridine-derivatives, auxiliary class Pyridine,Benzene,Ketone, name is Phenyl(pyridin-2-yl)methanone, and the molecular formula is C9H10O3S, Safety of Phenyl(pyridin-2-yl)methanone.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Kim, Jiyu published the artcileComplete Switch of Selectivity in the C-H Alkenylation and Hydroarylation Catalyzed by Iridium: The Role of Directing Groups, Name: 5-Nitro-2-phenylpyridine, the publication is Journal of the American Chemical Society (2015), 137(42), 13448-13451, database is CAplus and MEDLINE.

A complete switch in the Cp^*Ir(III)-catalyzed paths between C-H olefination and hydroarylation is crucially dependent on the type of directing groups. This dichotomy in product distribution was correlated to the efficiency in attaining syn-coplanarity of olefin-inserted 7-membered iridacycles. Theor. studies support hypothesis that the degree of flexibility of this key intermediate modulates the β-H elimination, which ultimately affords the observed chemoselectivity.

Journal of the American Chemical Society published new progress about 89076-64-2. 89076-64-2 belongs to pyridine-derivatives, auxiliary class Pyridine,Nitro Compound,Benzene, name is 5-Nitro-2-phenylpyridine, and the molecular formula is C11H8N2O2, Name: 5-Nitro-2-phenylpyridine.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Wu, Zhibing published the artcileSynthesis, Biological Evaluation, and 3D-QSAR Studies of N-(Substituted pyridine-4-yl)-1-(substituted phenyl)-5-trifluoromethyl-1H-pyrazole-4-carboxamide Derivatives as Potential Succinate Dehydrogenase Inhibitors, SDS of cas: 18437-58-6, the publication is Journal of Agricultural and Food Chemistry (2021), 69(4), 1214-1223, database is CAplus and MEDLINE.

To develop more potential succinate dehydrogenase (SDH) inhibitors, we designed and synthesized a novel series of N-(substituted pyridine-4-yl)-1-(substituted phenyl)-5-trifluoromethyl-1H-pyrazole-4-carboxamide derivatives, I [R¹ = H, CH₃, F, Cl; R² = 2-pyridinyl, 4-pyridinyl, 2-CH₃-4-pyridinyl, etc.]. The bioassay results demonstrated that some title compounds exhibited excellent antifungal activity against four tested phytopathogenic fungi (Gibberella zea, Fusarium oxysporum, Cytospora mandshurica, and Phytophthora infestans). The EC₅₀ values were 1.8μg/mL for I [R¹ = Cl; R² = 4-pyridinyl] against G. zeae, 1.5 and 3.6μg/mL for I [R¹ = Cl; R² = 2-CH₃-4-pyridinyl] against F. oxysporum and C. mandshurica, resp., and 6.8μg/mL for I [R¹ = F; R² = 2-CH₃-4-pyridinyl] against P. infestans. The SDH enzymic activity testing revealed that the IC₅₀ values of I [R¹ = H; R² = 4-pyridinyl], I [R¹ = CH₃; R² = 4-pyridinyl], I [R¹ = F; R² = 2-CH₃-4-pyridinyl], and penthiopyrad were 12.5, 135.3, 6.9, and 223.9μg/mL, resp. The mol. docking results of this series of title compounds with SDH model demonstrated that the compounds could completely locate inside of the pocket, the body fragment formed H bonds, and the Ph ring showed a π-π interaction with Arg59, suggesting that these novel 5-trifluoromethyl-pyrazole-4-carboxamide derivatives might target SDH. These results provided a benchmark for understanding the antifungal activity against the phytopathogenic fungus P. infestans and prompt us to discover more potent SDH inhibitors.

Journal of Agricultural and Food Chemistry published new progress about 18437-58-6. 18437-58-6 belongs to pyridine-derivatives, auxiliary class Pyridine,Amine, name is 4-Amino-2-picoline, and the molecular formula is C5H5F3O2, SDS of cas: 18437-58-6.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Xue, Yuan published the artcilePalladium-Catalyzed β-C(sp³)-H Nitrooxylation of Ketones and Amides Using Practical Oxidants, Safety of Pyridine-3-sulfonic acid, the publication is ACS Catalysis (2021), 11(22), 14188-14193, database is CAplus.

Herein, a Pd(II)-catalyzed β-C(sp³)-H nitrooxylation of ketones and native amides was reported. The fine-tuned removable aminooxyamide auxiliary enabled β-C(sp³)-H functionalization of various aliphatic ketones. Practical iron(III) nitrate nonahydrate was used as the nitrate source and a single-electron oxidant for Pd(II)/Pd(III)/Pd(IV) catalysis. For amide substrates, N-iodosuccinimide (NIS) was applied as a bystanding two-electron oxidant in combination with silver nitrate for β-C(sp³)-H nitrooxylation. Palladacycle intermediates were isolated and characterized to elucidate the reaction mechanism for the C(sp³)-H activation of ketones with the L,X-type imino-amide directing group.

ACS Catalysis published new progress about 636-73-7. 636-73-7 belongs to pyridine-derivatives, auxiliary class Pyridine,Sulfonic acid, name is Pyridine-3-sulfonic acid, and the molecular formula is C9H10O3S, Safety of Pyridine-3-sulfonic acid.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Gibson, Dorothy H. published the artcileSynthesis and Characterization of Ruthenium(II) Hydrido and Hydroxo Complexes Bearing the 2,6-Bis(di-tert-butylphosphinomethyl)pyridine Ligand, Related Products of pyridine-derivatives, the publication is Organometallics (2004), 23(10), 2510-2513, database is CAplus.

The reaction of [Ru(CO)₂Cl₂]_n with 2,6-bis(di-tert-butylphosphinomethyl)pyridine (PNP) and then anion exchange yields [Ru(PNP)(CO)₂Cl]PF₆ (1). Reaction of 1 with AgBF₄, in acetone, followed by MeCN and then anion exchange gave [Ru(PNP)(CO)₂(MeCN)](PF₆)₂ (2); reaction of 2 with H₂O gave [Ru(PNP)(CO)₂OH]PF₆ (3), whereas reaction of 2 with aqueous KOH led to [Ru(PNP)(CO)(MeCN)H]PF₆ (4). Complexes 3 and 4 were characterized by x-ray crystal structure anal.

Organometallics published new progress about 338800-13-8. 338800-13-8 belongs to pyridine-derivatives, auxiliary class Bis-phosphine Ligands, name is 2,6-Bis((di-tert-butylphosphino)methyl)pyridine, and the molecular formula is C23H43NP2, Related Products of pyridine-derivatives.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Aggarwal, Anup published the artcileDevelopment of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13, Quality Control of 903899-13-8, the publication is Cell (Cambridge, MA, United States) (2017), 170(2), 249-259.e25, database is CAplus and MEDLINE.

Widespread resistance to first-line TB drugs is a major problem that will likely only be resolved through the development of new drugs with novel mechanisms of action. The authors have used structure-guided methods to develop a lead mol. that targets the thioesterase activity of polyketide synthase Pks13, an essential enzyme that forms mycolic acids, required for the cell wall of Mycobacterium tuberculosis. The authors’ lead, TAM16, is a benzofuran class inhibitor of Pks13 with highly potent in vitro bactericidal activity against drug-susceptible and drug-resistant clin. isolates of M. tuberculosis. In multiple mouse models of TB infection, TAM16 showed in vivo efficacy equal to the first-line TB drug isoniazid, both as a monotherapy and in combination therapy with rifampicin. TAM16 has excellent pharmacol. and safety profiles, and the frequency of resistance for TAM16 is âˆ?00-fold lower than INH, suggesting that it can be developed as a new antitubercular aimed at the acute infection.

Cell (Cambridge, MA, United States) published new progress about 903899-13-8. 903899-13-8 belongs to pyridine-derivatives, auxiliary class Pyridine,Boronic acid and ester,Alcohol,Boronic Acids,Boronic acid and ester, name is (6-Hydroxypyridin-3-yl)boronic acid, and the molecular formula is C5H6BNO3, Quality Control of 903899-13-8.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Zupan, Marko published the artcileReactions of the N-F class of fluorinating reagents with solvents, Computed Properties of 107263-95-6, the publication is Journal of Fluorine Chemistry (1996), 78(2), 137-140, database is CAplus.

The transformations of various reagents of the N-F type in water, acetonitrile, alcs. and aqueous solutions of alkali hydroxides were investigated. First-order kinetics for 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) (F-TEDA) and 1-hydroxy-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) (NFTh) transformations were established: F-TEDA is less stable in water at 60 °C than NFTh, while N-fluorobis(phenylsulfonyl)amine (NFS) is very stable. The addition of acetonitrile to an aqueous solution of F-TEDA enhanced the transformation (k = 1.3×10^-5 s^-1), while a reaction which was three-times faster was observed in water/methanol solution (k = 3.5×10^-5 s^-1 at 60 °C). The energy of activation for the transformation of F-TEDA in water was found to be 21.1 kcal mol^-1, 20.6 kcal mol^-1 in water/methanol solution and 13.8 kcal mol^-1 in a water/acetonitrile mixture

Journal of Fluorine Chemistry published new progress about 107263-95-6. 107263-95-6 belongs to pyridine-derivatives, auxiliary class Fluorination reagent, name is 1-Fluoropyridiniumtriflate, and the molecular formula is C7H13BrSi, Computed Properties of 107263-95-6.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Zhang, Lei published the artcileMetal-ligand binding interactions in rhodium/palladium-catalyzed synthesis of dihydroquinolines, HPLC of Formula: 612845-44-0, the publication is Journal of Organic Chemistry (2014), 79(24), 12159-12176, database is CAplus and MEDLINE.

A domino Rh- and Pd-catalyzed synthesis of dihydroquinolines is disclosed. Two metals and two ligands are placed in one reaction vessel along with the two reactive reagents to afford selective sequential coupling despite the potential for side reactions. In this report, we describe mechanistic investigations attempting to discern the catalyst-ligand interactions occurring in this domino reaction. Through these studies, the reactivity and relative catalyst ligand loadings were successfully tuned to efficiently access the heterocyclic products.

Journal of Organic Chemistry published new progress about 612845-44-0. 612845-44-0 belongs to pyridine-derivatives, auxiliary class Pyridine,Boronic acid and ester,Ether,Boronic Acids,Boronic acid and ester, name is (6-Ethoxypyridin-3-yl)boronic acid, and the molecular formula is C15H20O6, HPLC of Formula: 612845-44-0.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Krommyda, Kalliopi published the artcileA Remarkable Effect of Aluminum on the Novel and Efficient Aqueous-Phase Hydrogenation of Levulinic Acid into γ-Valerolactone Using Water-Soluble Platinum Catalysts Modified with Nitrogen-Containing Ligands, SDS of cas: 636-73-7, the publication is Catalysis Letters (2019), 149(5), 1250-1265, database is CAplus.

The catalytic performance of novel water-soluble platinum catalysts modified with various nitrogen-containing and phosphine ligands in the hydrogenation reaction of levulinic acid (LA) into γ-valerolactone (GVL) has been studied in environmentally attractive, green, aqueous monophasic systems. The presence of the Lewis acid aluminum enormously increases the catalytic activity of water-soluble platinum catalysts modified with nitrogen-containing ligands in the LA hydrogenation reaction and high catalytic activities up to 3540 TOF’s per h with a quant. selectivity towards GVL have been achieved using Na₂PtCl₆·6H₂O precursors modified with the bidentate bathophenanthrolinedisulfonic acid disodium salt (BPhDS) ligand and low amounts of AlCl₃·6H₂O promotors (molar ratio of AlCl₃·6H₂O/Pt = 0.17) in aqueous media. This unprecedented increase in catalytic activity with aluminum promotors for water-soluble transition metal catalytic systems in aqueous-phase hydrogenation reactions has not been described until now in the literature. The apparent activation energy of platinum catalyst modified with the monodentate nitrilotriacetic acid trisodium salt ligand in aqueous medium was calculated and amounts to a relative low value of 73.04 kJ mol^-1 when one considers that in the LA hydrogenation reaction this catalyst reduces a less reactive keto group into alc. functionality. A recycling experiment of the Pt/BPhDS/Al catalyst from the aqueous monophasic LA hydrogenation reaction mixture followed by biphasic recovery of the catalyst in active form from organic reaction products by extraction and simple phase separation of an aqueous/organic two-phase system formed after addition of di-Et ether has shown that the Pt/BPhDS/Al catalyst is stable without loss of activity and selectivity in a consecutive run.

Catalysis Letters published new progress about 636-73-7. 636-73-7 belongs to pyridine-derivatives, auxiliary class Pyridine,Sulfonic acid, name is Pyridine-3-sulfonic acid, and the molecular formula is C5H5NO3S, SDS of cas: 636-73-7.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem