Month: March 2022

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-Chloro-5-pyridinesulfonyl chloride, is researched, Molecular C5H3Cl2NO2S, CAS is 6684-39-5, about Design and synthesis of novel n-butyphthalide derivatives as promising botanical fungicides.Quality Control of 2-Chloro-5-pyridinesulfonyl chloride.

In order to obtain novel botanical fungicides, three series of novel 6-substituted n-butyphthalide derivatives have been designed and synthesized via nucleophilic addition, reduction, nitrification, amination, sulfonation, Sandmeyer and Suzuki reaction. The mycelium growth rate method was used to evaluate the inhibition activity against eight phytopathogenic fungi in vitro. Preliminary bioassay tests showed that compounds 6f, 6n, 6p, 6r and 7a exhibited better activity for some fungi at 50 μg/mL than the pos. drug hymexazol and lead compound n-butyphthalide (NBP). The preliminary structure-activity relationships indicated that the antifungal activity is significantly affected by the substituents on the benzene ring.

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Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Tetrahedral Cu(I) complexes as electrocatalysts for the reduction of protons to dihydrogen gas, published in 2021-07-07, which mentions a compound: 1663-45-2, mainly applied to tetrahedral copper complex preparation electrocatalyst reduction proton dihydrogen preparation; electrochem redox tetrahedral copper complex, SDS of cas: 1663-45-2.

Four copper(I) complexes [Cu(MeCN)4]PF6 (1), [Cu(dppe)2]PF6 (2), [Cu(bpy)2]PF6 (3) and [Cu(bpy)(dppe)]PF6 (4) have been used as electrocatalysts in the generation of dihydrogen from proton reduction Low overpotentials of 0.4 V have been measured using cyclic voltammetry when 1 and 3 were used as the catalysts in the presence of acetic acid as the proton source in acetonitrile. In contrast, a higher overpotential is observed for 4 while 2 is unable to catalyze the process. A mechanism for proton reduction has been proposed.

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Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

Application of 1663-45-2. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 1,2-Bis(diphenylphosphino)ethane, is researched, Molecular C26H24P2, CAS is 1663-45-2, about Novel base-free dianion complexes of Pt(II) and Pd(II) derived from heterocyclic thiourea and tertiary phosphine ligands. Author is Faihan, Ahmed S.; Al-Jibori, Subhi A.; Al-Janabi, Ahmed S..

Treatment of one molar equivalent of [M(HCPPT)2] (M = Pd, Pt; H2CPPT = 1-(5-chloropyridin-2-yl)-3-phenylthiourea) with one molar equivalent of κ2-diphos (diphos = dppe, dppp, dppb, and dppf) or two molar equivalent of κ1-phos afforded eight heterocyclic thiourea dianion complexes (1-8). The spectroscopic data anal. showed clear AX splitting pattern, which indicates that the two coordinated phosphorus atoms are non-equivalent Meaning that, the metal’s center is attached to both S,N donor atoms in a chelating fashion. In addition, the splitting system show a good resemblance to the previously synthesized thiourea dianion complexes. Furthermore, the reaction is believed to undergo a square planar substitution mechanism at which five coordinate intermediate is formed. Generally, the reported complexes (1-8) are believed to resemble their analogs thiourea dianion complexes at which a four membered ring structure is formed with Pt(II) or Pd(II) being centered, adopting a square planar geometry. Four of the synthesized complexes (1-4) were tested against Salmonella typhimurium and Bacillus subtilis bacteria at which complexes 4 and 2 showed highest activity values.

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Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Synthesis called N -Methylated 1,8-Diaminonaphthalenes as Bifunctional Nucleophiles in Reactions with α,ω-Dihalogenoalkanes: A Facile Route to Heterocyclic and Double Proton Sponges, Author is Kolupaeva, Ekaterina V.; Ozeryanskii, Valery A.; Pozharskii, Alexander F., which mentions a compound: 111-24-0, SMILESS is BrCCCCCBr, Molecular C5H10Br2, Electric Literature of C5H10Br2.

The reaction of 1-dimethylamino-8-(methylamino)naphthalene with 1,3-dibromopropane chemoselectively leaded to the product of N, N’-heterocyclization, while in the case of 1,4-dibromobutane and 1,2-bis(bromomethyl)benzene the process resulted in heterocyclization onto the same nitrogen atom with the formation of previously unknown 1-dimethylamino-8-pyrrolidino- and 1-dimethylamino-8-isoindolino-naphthalenes. The same reactions conducted without adding any auxiliary base leaded to the formation of N, N’-linked double proton sponges as a new type of polynitrogen organic receptor. Proceeding as a sequence of quaternization-demethylation-cyclization steps, this heterocyclization process was used to construct six-membered rings (piperidino, morpholino), albeit in lower yields. The ability of 1,2-dibromoethane to brominate N-alkylated 1,8-diaminonaphthalenes was described. It is shown for the first time that a com. available 1,8-bis(dimethylamino)naphthalene (DMAN) can be used as a starting material in a heterocyclization reaction, which via a one-pot approach and in a short time can be converted into 1,5-dimethylnaphtho[1,8- bc]-1,5-diazacyclooctane or 1-dimethylamino-8-(pyrrolidin-1-yl)naphthalene.

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Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 2-Aminoquinazolin-4(3H)-one, is researched, Molecular C8H7N3O, CAS is 20198-19-0, about Optimizing Fragment and Scaffold Docking by Use of Molecular Interaction Fingerprints, the main research direction is protein ligand scaffold docking mol interaction fingerprint.Product Details of 20198-19-0.

Protein-ligand interaction fingerprints have been used to postprocess docking poses of three ligand data sets: a set of 40 low-mol.-weight compounds from the Protein Data Bank, a collection of 40 scaffolds from pharmaceutically relevant protein ligands, and a database of 19 scaffolds extracted from true cdk2 inhibitors seeded in 2230 scaffold decoys. Four popular docking tools (FlexX, Glide, Gold, and Surflex) were used to generate poses for ligands of the three data sets. In all cases, scoring by the similarity of interaction fingerprints to a given reference was statistically superior to conventional scoring functions in posing low-mol.-weight fragments, predicting protein-bound scaffold coordinates according to the known binding mode of related ligands, and screening a scaffold library to enrich a hit list in true cdk2-targeted scaffolds.

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Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

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.Sun, Feilong; Yang, Chengxi; Ni, Jie; Cheng, Gui-Juan; Fang, Xianjie researched the compound: 1,2-Bis(diphenylphosphino)ethane( cas:1663-45-2 ).Application In Synthesis of 1,2-Bis(diphenylphosphino)ethane.They published the article 《Ligand-Controlled Regiodivergent Nickel-Catalyzed Hydrocyanation of Silyl-Substituted 1,3-Diynes》 about this compound( cas:1663-45-2 ) in Organic Letters. Keywords: nickel catalyzed hydrocyanation silyl substituted diyne; crystal structure cyano containing enyne; mol structure cyano containing enyne; cyano silyl containing enyne preparation crystal structure. We’ll tell you more about this compound (cas:1663-45-2).

A regiodivergent Ni-catalyzed hydrocyanation of 1-aryl-4-silyl-1,3-diynes is reported. When appropriate bisphosphine and phosphine-phosphite ligands are applied, the same starting materials can be converted into two different enynyl nitriles with good yields and high regioselectivities. The DFT calculations unveiled that the structural features of different ligands bring divergent alkyne insertion modes, which in turn lead to different regioselectivities. Also, the synthetic value of the cyano-containing 1,3-enynes was demonstrated with several downstream transformations.

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Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

Computed Properties of C30H21P. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: Tri(naphthalen-1-yl)phosphine, is researched, Molecular C30H21P, CAS is 3411-48-1, about Superbase-Assisted Selective Synthesis of Triarylphosphines from Aryl Halides and Red Phosphorus: Three Consecutive Different SNAr Reactions in One Pot. Author is Malysheva, Svetlana F.; Kuimov, Vladimir A.; Belogorlova, Natalia A.; Albanov, Alexander I.; Gusarova, Nina K.; Trofimov, Boris A..

Aryl halides, ArX (Ar = Ph, 2-, 3- and 4-Tol, 1- and 2-Np, 4-C6H4CONH2; X = F, Cl, Br), rapidly and exothermically (100-180 °C, 0.5-2 h) react with red phosphorus in superbase systems KOH/L, where L is a polar nonhydroxylic complexing solvent (ligand), such as NMP, DMSO, HMPA, to afford the corresponding triarylphosphines (Ar3P) in up to 74 % yield (for X = F). Thus, three consecutive reactions of SNAr (aromatic nucleophilic substitution) to form the three C(sp2)-P bonds are realized in one pot. The synthesis is mostly chemoselective (with rare exception): neither mono- nor diphosphines have been isolated. The best results were attained when aryl fluorides were treated with red phosphorus (Pn) in the KOH/NMP superbase system. This environmentally friendly, PCl3-free synthesis of Ar3P from available starting materials opens an easy and straightforward access to triarylphosphines, which are important ligands, synthetic auxiliaries, and components of high-tech- and medicinally oriented complexes.

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Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

Safety of 5-(4-Pyridyl)-1H-tetrazole. 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. Compound: 5-(4-Pyridyl)-1H-tetrazole, is researched, Molecular C6H5N5, CAS is 14389-12-9, about Synthesis, photophysical and electrochemical investigation of dinuclear tetrazolato-bridged rhenium complexes.

Rhenium binuclear tetrazolylbenzonitrile and tetrazolylpyridine-bridged phenanthroline complexes exhibit emission at 490-560 nm in CH2Cl2 solution both at room temperature and at 77 K. Starting from anionic tetrazole-based ligands, namely, 5-(4′-cyanophenyl)tetrazolate and 5-(4′-pyridyl)tetrazolate, mononuclear and dinuclear complexes of fac-[Re(CO)3(phen)]+ (phen = 1,10-phenanthroline) were prepared and characterized. For the mononuclear complexes, regioselective coordination of the metal fragments on the neg. charged tetrazolato ring is exclusively obtained. Coordination to the benzonitrile and pyridine groups was achieved by previous alkylation of the tetrazole ring. Dinuclear complexes were obtained by treatment of the corresponding mononuclear tetrazole-bound complexes with fac-[Re(CO)3(phen)(THF)]+. The second rhenium fragment coordinated either to the pyridine ring or, in the case of the benzonitrile ligand, to the tetrazole ring. The electrochem. properties were probed in an imidazolium ionic liquid, highlighting reduction processes centered on the phen ligand and oxidation processes localized on the metal. The photophys. properties of the complexes are characterized by phosphorescent emission from triplet metal-to-ligand charge transfer excited states, with trends in the lifetime and quantum yield in qual. agreement with the energy gap law. The two dinuclear complexes show almost superimposable emission profiles: in the 5-(4′-cyanophenyl)tetrazolate-bridged complex, the two metal fragments coordinated to the tetrazole are equivalent and share a pos. charge of +1. On the other hand, the photophys. properties of the 5-(4′-pyridyl)tetrazolate-bridged dinuclear complex suggest energy transfer between the two metal centers.

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Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

Electric Literature of C26H24P2. 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. Compound: 1,2-Bis(diphenylphosphino)ethane, is researched, Molecular C26H24P2, CAS is 1663-45-2, about Excitation-Wavelength-Dependent and Auxiliary-Ligand-Tuned Intersystem-Crossing Efficiency in Cyclometalated Platinum(II) Complexes: Spectroscopic and Theoretical Studies.

Understanding the factors affecting the intersystem-crossing (ISC) rate constant (kISC) of transition-metal complexes is crucial to material design with tailored photophys. properties. Most of the works on ISC to date focused on the influence by the chromophoric ligand and the understanding of the ISC efficiency were mainly drawn from the steady-state fluorescence to phosphorescence intensity ratio and ground-state calculations, with only a few high-level calculations on kISC that take excited-state structural change and solvent reorganization into account for quant. comparisons with the exptl. data. In this work, a series of [Pt(thpy)X]+ complexes were prepared [Hthpy = 2-(2′-thienyl)pyridine, where X = auxiliary ligands] and characterized by both steady-state and time-resolved luminescence spectroscopies. A panel of auxiliary ligands with varying σ-donating/π-accepting character have been used. For comparison, analogs of [Pt(ppy)(P P)]+ (Hppy = 2-phenylpyridine and P P = diphosphino ligand) were also examined The [Pt(thpy)(P P)]+ complexes exhibit dual fluorescence-phosphorescence emission, with their ISC rate constants varied with the electronic characteristics of the auxiliary ligand: the more electron-donating ligand induces faster ISC from the S1 excited state to the triplet manifold. D. functional theory (DFT)/time-dependent DFT calculations of kISC(S1→T2) at the optimized excited-state geometries give excellent quant. agreement with the femtosecond time-resolved fluorescence measurements; it was revealed that the more electron-donating auxiliary ligand increases metal contributions to both occupied and virtual orbitals and decreases the energy gap of the coupling excited states, leading to a decrease in the activation energy and an increase in spin-orbit coupling. Furthermore, the ISC rate constants of [Pt(thpy)(P P)]+ complexes are found to depend on the excitation wavelengths. The deviation from Kasha-Vavilov′s rule upon photoexcitation at λexc < 350 nm is due to the ultrafast S2 → T2 and S2 → T3 ISCs, as demonstrated by the calculated τISC < 100 fs, giving hints as to why S2 → S1 internal conversion (τIC ∼ ps) is not competitive with this hyper-ISC. Control of the intersystem-crossing (ISC) rate constant is key to tailoring the emission properties of transition-metal complexes. Both spectroscopic and theor. studies of a series of cyclometalated platinum(II) complexes reveal that the ISC rate can be tuned by varying the electron-donating capability of the auxiliary ligands. Moreover, hyper-ISC from the higher-lying singlet excited state to the triplet manifold has been unveiled by theor. studies, explaining the excitation-wavelength-dependent dual fluorescence-phosphorescence emission for the present platinum(II) complexes. Here is a brief introduction to this compound(1663-45-2)Electric Literature of C26H24P2, if you want to know about other compounds related to this compound(1663-45-2), you can read my other articles.

Reference:
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

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 A novel series of [1,2,4]triazolo[4,3-a]pyridine sulfonamides as potential antimalarial agents: in silico studies, synthesis and in vitro evaluation, published in 2020, which mentions a compound: 6684-39-5, Name is 2-Chloro-5-pyridinesulfonyl chloride, Molecular C5H3Cl2NO2S, Computed Properties of C5H3Cl2NO2S.

For the development of new and potent antimalarial drugs, the virtual library with three points of randomization of novel [1,2,4]triazolo[4,3-a]pyridines bearing a sulfonamide fragment, e.g., I has been described. The library of 1561 compounds has been investigated by both virtual screening and mol. docking methods using falcipain-2 as a target enzyme. 25 Chosen hits were synthesized and evaluated for their antimalarial activity in vitro against Plasmodium falciparum. 3-Ethyl-N-(3-fluorobenzyl)-N-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide and 2-(3-chlorobenzyl)-8-(piperidin-1-ylsulfonyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one showed in vitro good antimalarial activity with inhibitory concentration IC50 = 2.24 and 4.98μM, resp. This new series of compounds may serve as a starting point for future antimalarial drug discovery programs.

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Reference:
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis