Month: April 2022

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 2-Aminoquinazolin-4(3H)-one(SMILESS: O=C1NC(N)=NC2=C1C=CC=C2,cas:20198-19-0) is researched.Recommanded Product: 111-24-0. The article 《Chemical Fragments that Hydrogen Bond to Asp, Glu, Arg, and His Side Chains in Protein Binding Sites》 in relation to this compound, is published in Journal of Medicinal Chemistry. Let’s take a look at the latest research on this compound (cas:20198-19-0).

We present an anal. of the chem. fragments from lead-like ligands in the Protein Data Bank (PDB) that form hydrogen bonds to the side chains of Asp, Glu, Arg, and His, which are the most common residues found in ligand binding sites. A fragment is defined as the largest ring assembly containing the atoms involved in hydrogen bonding. In total, 462 fragments were found in 2038 ligands from over 8000 protein-ligand structures in the PDB. The results show which fragments have a higher propensity for interaction with specific side chains. Some fragments interact with Asp but not with Glu, and vice versa, despite these side chains sharing the same chem. moiety. Arg side chains form hydrogen bonds almost exclusively with O-mediated ligands, and the fragments are the most diverse. Hydrogen bond distances from the imidazole of His showed a wider range than the other three amino acids.

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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

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 Annulation of Indoles with 1,n-Dibromoalkanes by a Pd(II)-Catalyzed and Norbornene-Mediated Reaction Cascade, published in 2020-04-30, which mentions a compound: 111-24-0, mainly applied to carbazole tetrahydro preparation regioselective; dibromoalkane indole tandem cyclization palladium catalyst, Recommanded Product: 111-24-0.

By employing 1,3-dibromopropane, 1,4-dibromobutane, and 1,5-dibromopentane as biselectrophiles, the annulation of indoles I (R = H, 5-Br, 4-CN, 5-t-BuO2C, etc.) was probed in the presence of PdCl2(CH3CN)2 as a catalyst and norbornene as a transpositional ligand. Ring formation to a five-membered ring was observed at positions C2 and N, while annulation of a six-membered ring occurred at positions C2 and C3. The latter cascade process was successfully applied to the direct synthesis of 1,2,3,4-tetrahydrocarbazoles II from indoles I (11 examples, 31-68% yields). Seven-membered-ring annulation was feasible by an initial coupling at position C2 followed by alkylation at C3.

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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

Related Products of 20198-19-0. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 2-Aminoquinazolin-4(3H)-one, is researched, Molecular C8H7N3O, CAS is 20198-19-0, about One-carbon compounds as synthetic intermediates. The synthesis of hydropyrimidines and hydroquinazolines by sequential nucleophilic addition to diphenyl cyanocarbonimidate with concomitant cyclization. Author is Garratt, Peter J.; Hobbs, Christopher J.; Wrigglesworth, Roger.

Di-Ph cyanocarbonimidate (PhO)2C:NCN, undergoes nucleophilic addition with ω-amino esters and amines in a sequential manner to give guanidine derivatives that, for the most part, spontaneously cyclize to give hydropyrimidines, e.g. I, or hydroquinazolines. The hydropyrimidines could be dehydrogenated to pyrimidines, and the NCN group could be hydrolyzed to a carbonyl or amine group in the pyrimidine and to an amine group in the quinazoline series. The regiospecificity of the cyclization was determined by a combination of spectroscopic methods and comparison of compounds synthesized by standard routes. The scope of the synthetic route is indicated. Some of the acyclic N-cyano-O-phenylisoureas formed by the first nucleophilic addition exist as mixtures of isomers, and the barriers to interconversion have been determined by NMR spectroscopy.

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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

Thakur, Maheshwar S.; Nayal, Onkar S.; Rana, Rohit; Kumar, Manoranjan; Sharma, Sushila; Kumar, Neeraj; Maurya, Sushil K. published an article about the compound: 2-Aminoquinazolin-4(3H)-one( cas:20198-19-0,SMILESS:O=C1NC(N)=NC2=C1C=CC=C2 ).Application of 20198-19-0. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:20198-19-0) through the article.

A novel, mild and transition metal-free, 2-aminoquinazolin-4(3H)-one-assisted reduction of nitroarenes employing hydrazine hydrate as reducing agent and potassium carbonate as a base is reported. For the first time, the activation of hydrazine hydrate with an organocatalyst has been explored for reduction reactions. Also for the first time, 2-aminoquinazolin-4(3H)-one and its derivatives have been investigated as hydrogen bonding organocatalysts for the reduction of nitroarenes to anilines. Sensitive functional groups such as sulfonamide, carboxyl, amide and halides were well tolerated in this green methodol. with scalability and high chemoselectivity.

There are many compounds similar to this compound(20198-19-0)Application of 20198-19-0. if you want to know more, you can check out my other articles. I hope it will help you，maybe you’ll find some useful information.

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

Product Details of 1663-45-2. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 1,2-Bis(diphenylphosphino)ethane, is researched, Molecular C26H24P2, CAS is 1663-45-2, about Redox-Induced Structural Reorganization Dictates Kinetics of Cobalt(III) Hydride Formation via Proton-Coupled Electron Transfer. Author is Kurtz, Daniel A.; Dhar, Debanjan; Elgrishi, Noemie; Kandemir, Banu; McWilliams, Sean F.; Howland, William C.; Chen, Chun-Hsing; Dempsey, Jillian L..

Two-electron, one-proton reactions of a family of [CoCp(dxpe)(NCCH3)]2+ complexes (Cp = cyclopentadienyl, dxpe = 1,2-bis(di(aryl/alkyl)phosphino)ethane) form the corresponding hydride species [HCoCp(dxpe)]+ (dxpe = dppe (1,2-bis(diphenylphosphino)ethane), depe (1,2-bis(diethylphosphino)ethane), and dcpe (1,2-bis(dicyclohexylphosphino)ethane)) through a stepwise proton-coupled electron transfer process. For three [CoCp(dxpe)(NCCH3)]2+ complexes, peak shift anal. was employed to quantify apparent proton transfer rate constants from cyclic voltammograms recorded with acids ranging 22 pKa units. The apparent proton transfer rate constants correlate with the strength of the proton source for weak acids, but these apparent proton transfer rate constants curiously plateau (kpl) as the reaction becomes increasingly exergonic. The absolute apparent proton transfer rate constants across both these regions correlate with the steric bulk of the chelating diphosphine ligand, with bulkier ligands leading to slower kinetics (kplateau,depe = 3.5 x 107 M-1 s-1, kplateau,dppe = 1.7 x 107 M-1 s-1, kplateau,dcpe = 7.1 x 104 M-1 s-1). Mechanistic studies were conducted to identify the cause of the aberrant kPTapp-ΔpKa trends. When deuterated acids are employed, deuterium incorporation in the Cp ring is observed, indicating protonation of the CoCp(dxpe) species to form the corresponding hydride proceeds via initial ligand protonation. Digital simulations of cyclic voltammograms show ligand loss accompanying initial reduction gates subsequent PCET activity at higher driving forces. Together, these experiments reveal the details of the reaction mechanism: reduction of the Co(III) species is followed by dissociation of the bound acetonitrile ligand, subsequent reduction of the unligated Co(II) species to form a Co(I) species is followed by protonation, which occurs at the Cp ring, followed by tautomerization to generate the stable Co(III)-hydride product [HCoCp(dxpe)]+. Anal. as a function of chelating disphosphine ligand, solvent, and acid strength reveals that the ligand dissociation equilibrium is directly influenced by the steric bulk of the phosphine ligands and gates protonation, giving rise to the plateau of the apparent proton transfer rate constant with strong acids. The complexity of the reaction mechanism underpinning hydride formation, encompassing dynamic behavior of the entire ligand set, highlights the critical need to understand elementary reaction steps in proton-coupled electron transfer reactions.

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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

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 1,2-Bis(diphenylphosphino)ethane, is researched, Molecular C26H24P2, CAS is 1663-45-2, about Ruthenium(II) Diphosphine Complexes with Mercapto Ligands That Inhibit Topoisomerase IB and Suppress Tumor Growth In Vivo, the main research direction is melanoma antitumor lung breast cancer hTopIB docking ruthenium complexes.Name: 1,2-Bis(diphenylphosphino)ethane.

Ruthenium(II) complexes (Ru1-Ru5), with the general formula [Ru(N-S)(dppe)2]PF6, bearing two 1,2-bis(diphenylphosphino)ethane (dppe) ligands and a series of mercapto ligands (N-S), have been developed. The combination of these ligands in the complexes endowed hydrophobic species with high cytotoxic activity against five cancer cell lines. For the A549 (lung) and MDA-MB-231 (breast) cancer cell lines, the IC50 values of the complexes were 288- to 14-fold lower when compared to cisplatin. Furthermore, the complexes were selective for the A549 and MDA-MB-231 cancer cell lines compared to the MRC-5 nontumor cell line. The multitarget character of the complexes was investigated by using calf thymus DNA (CT DNA), human serum albumin, and human topoisomerase IB (hTopIB). The complexes potently inhibited hTopIB. In particular, complex [Ru(dmp)(dppe)2]PF6 (Ru3) (I), bearing the 4,6-diamino-2-mercaptopyrimidine (dmp) ligand, effectively inhibited hTopIB by acting on both the cleavage and religation steps of the catalytic cycle of this enzyme. Mol. docking showed that the Ru1-Ru5 complexes have binding affinity by active sites on the hTopI and hTopI-DNA, mainly via π-alkyl and alkyl hydrophobic interactions, as well as through hydrogen bonds. Complex Ru3 displayed significant antitumor activity against murine melanoma in mouse xenograph models, but this complex did not damage DNA, as revealed by Ames and micronucleus tests.

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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

SDS of cas: 14389-12-9. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 5-(4-Pyridyl)-1H-tetrazole, is researched, Molecular C6H5N5, CAS is 14389-12-9, about A novel approach for the synthesis of 5-substituted-1H-tetrazoles. Author is Akhlaghinia, Batool; Rezazadeh, Soodabeh.

A series of 5-substituted-1H-tetrazoles (RCN4H), e.g., I, have been synthesized by cycloaddition reaction of different aryl and alkyl nitriles with sodium azide in DMSO using CuSO4·5H2O as catalyst. A wide variety of aryl nitriles underwent [3 + 2] cycloaddition to afford tetrazoles under mild reaction conditions in good to excellent yields. The catalyst used is readily available and environmentally friendly. Short reaction times, good to excellent yields, safe process and simple workup make this method an attractive and useful contribution to present organic synthesis of 5-substituted-1H-tetrazoles.

There are many compounds similar to this compound(14389-12-9)SDS of cas: 14389-12-9. if you want to know more, you can check out my other articles. I hope it will help you，maybe you’ll find some useful information.

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

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 Rapid and Efficient Cascade Synthesis of 2-Amino-4(3H)-quinazolinones over an In Situ-Generated Heterogeneous CuCO3-K2CO3 Nanocomposite, the main research direction is quinazolinone amino preparation green chem; halobenzoic acid guanidine cascade reaction heterogeneous nanocomposite; copper carbonate potassium carbonate heterogenous recyclable nanocomposite preparation.Electric Literature of C8H7N3O.

A green, recyclable, in situ-generated, heterogeneous CuCO3-K2CO3 nanocomposite-catalyzed cascade reaction between 2-halobenzoic acids and guanidines is described for the synthesis of 2-amino-4(3H)-quinazolinones. The reaction is rapid and proceeds efficiently in air without the addition of a ligand or additive. This protocol is equally applicable to amidines for the synthesis of 2-alkyl- and 2-phenyl-4(3H)-quinazolinones.

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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

COA of Formula: C6H5N5. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 5-(4-Pyridyl)-1H-tetrazole, is researched, Molecular C6H5N5, CAS is 14389-12-9, about Presynthesized and In-Situ Generated Tetrazolate Ligand in the Design of Chiral Cadmium Coordination Polymer. Author is Chang, Che-Chi; Huang, Yun-Chieh; Huang, Sheng-Ming; Wu, Jing-Yun; Liu, Yen-Hsiang; Lu, Kuang-Lieh.

In contrast to the in-situ generated 5-(4-pyridyl)tetrazolate (4-ptz) ligand, the use of presynthesized 4-ptz gave a chiral cadmium coordination polymer [Cd2Cl3(4-ptz)]n (1) with a rare μ5-bridging mode of the tetrazolate ligand. Reaction of the ligand generated in-situ from 4-cyanopyridine and NaN3 yielded an achiral complex [Cd2Cl2(OH)(4-ptz)(H2O)]n (2). Crystal structures for both complexes 1 and 2 were determined This type of tuning in the design of chiral coordination polymers is reported for the first time.

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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

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, Russian Journal of Organic Chemistry called The First Analog of Pyrimidine Nucleosides with Two Nucleobases and Two D-Ribofuranose Residues, Author is Andreeva, O. V.; Saifina, L. F.; Belenok, M. G.; Semenov, V. E.; Kataev, V. E., which mentions a compound: 111-24-0, SMILESS is BrCCCCCBr, Molecular C5H10Br2, SDS of cas: 111-24-0.

The reaction of 1,5-bis[1-(prop-2-yn-1-yl)uracil-3-yl]pentane with 2′,3′,5′-tri-O-acetyl-β-D-ribofuranosylazide followed by removing of acetyl protective groups with a solution of sodium methylate in methanol afforded 1,5-bis{[1-methyl(β-D-ribofuranosyl)-1H-1,2,3-triazole-4-yl]uracil-3-yl}pentane which is the first analog of pyrimidine nucleosides with two nucleobases and two D-ribofuranose residues.

I hope my short article helps more people learn about this compound(1,5-Dibromopentane)SDS of cas: 111-24-0. Apart from the compound(111-24-0), you can read my other articles to know other related compounds.

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