Day: April 18, 2022

George, Bobby J.; Dib, Hicham H.; Abdallah, Mariam R.; Ibrahim, Maher R.; Khalil, Nasser S.; Ibrahim, Yehia A.; Al-Awadi, Nouria A. published an article about the compound: 2-Aminoquinazolin-4(3H)-one( cas:20198-19-0,SMILESS:O=C1NC(N)=NC2=C1C=CC=C2 ).Recommanded Product: 2-Aminoquinazolin-4(3H)-one. 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.

The kinetics, product anal. and theor. studies for selective deprotection of N-arylideneamino pyridone, pyrimidinone and triazinone systems were carried out. Their reactivities were compared with each other and with related compounds previously studied. This reaction represents an efficient, clean and general synthetic procedure for the protection and selective synthesis of potential biol. active pyridines, pyrimidines and triazines and their derivatives

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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 reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Reactions in sunlight with alcoholic ammonia. VI. The reaction with some indolic compounds》. Authors are Capuano, Salvatore; Giammanco, Lorenzo.The article about the compound:2-Aminoquinazolin-4(3H)-onecas:20198-19-0,SMILESS:O=C1NC(N)=NC2=C1C=CC=C2).Computed Properties of C8H7N3O. Through the article, more information about this compound (cas:20198-19-0) is conveyed.

In view of the results obtained with pyrrolic compounds (C.A. 50, 7807f), and the fact that O is necessary in the reaction of pyrroles with NH3, the behavior of indole (I), α-phenylindole (II), and isatin (III) was studied. The results show that, here too, O is necessary in the sunlight reaction. I (10 g.) in 500 cc. 95.% EtOH saturated with NH3, exposed (while closed) to sunlight for 1 hr., gives a dark red solution and a brown precipitate, which, purified by EtOH, yields 2,4(1H,3H)-quinazolinedione (IV). II (32 g.) in 1000 cc. alc. NH3, exposed (while closed) to sunlight for 6 months, concentrated in vacuo, allowed to stand until the brown oil has solidified, and the solid purified by dioxane, gives 2-phenyl-4(1H)-quinazolinone (V), m. 232-5°. Addition of H2O to the mother liquor precipitates a greenish resin. V can be prepared by the method of Finger-Schupp [J. prakt. Chem. 74, 154(1906)], or as follows: a mixture of equimolar weights o-H2NC6H4CO2H and HN:CPhNH2.HCl, heated until no more NH3 and NH4Cl are evolved, the yellow oil poured into H2O, and the precipitate purified by EtOH or dioxane, gives V, m. 238-40°. III in alc. NH3 gives a dark red solution, which, exposed to sunlight 3 months, precipitates a mixture of a brown substance and white substance. This mixture extracted with hot EtOH, the extract allowed to stand, and the precipitate purified by EtOH, gives 2-imino-2,3-dihydro-4(1H)-quinazolinone (VI). VI and dilute H2SO4, refluxed a long time, give IV. The alc. mother liquor from the separation of VI, concentrated and allowed to stand, and the precipitate purified by AcOH, gives IV. The results show that with I, II, and III, an oxidation reaction takes place at the β-position and that an NH group is introduced between the α- and β-positions. Significant differences in the behavior of pyrroles and indoles in the sunlight process are discussed.

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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 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 The geometric and electronic structures of a Ag13Cu10(SAdm)12X3 nanocluster, published in 2020, which mentions a compound: 1663-45-2, Name is 1,2-Bis(diphenylphosphino)ethane, Molecular C26H24P2, Computed Properties of C26H24P2.

Herein, authors report the synthesis and total structure of a Cu-rich alloy nanocluster protected by twelve adamantanethiolate ligands, i.e., [Ag13Cu10(SAdm)12]X3 (-SAdm = SC10H15, X = counterion), which was confirmed by single-crystal x-ray structure determination and electrospray ionization mass spectrometry (ESI-MS). X-ray crystallog. anal. indicated that [Ag13Cu10(SAdm)12]X3 consisted of an icosahedral Ag13 core, covered by a cage-like shell of Cu10(SAdm)12. Furthermore, d. functional theory (DFT) and time-dependent DFT (TD-DFT) calculations on the geometric and electronic structures and KS orbitals and UV-vis spectroscopy were performed on the model [Ag13Cu10(SMe)12]3+ and its monometallic analog [Ag23(SMe)12]3+. This work will deepen the understanding of core-shell Ag-Cu alloy nanoclusters.

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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

Reference of 5-(4-Pyridyl)-1H-tetrazole. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: 5-(4-Pyridyl)-1H-tetrazole, is researched, Molecular C6H5N5, CAS is 14389-12-9, about Two Metal-Organic Frameworks Constructed from One-Dimensional Cobalt(II) Ferrimagnetic Chains with Alternating Antiferromagnetic/Ferromagnetic and AF/AF/FM Interaction: Synthesis, Structures, and Magnetic Properties. Author is Yang, Fen; Li, Baiyan; Xu, Wei; Li, Guanghua; Zhou, Qi; Hua, Jia; Shi, Zhan; Feng, Shouhua.

Here, the authors report two three-dimensional metal-organic frameworks [Co2(4-ptz)2(bpp)(N3)2]n (1) and [Co3(OH)2(bdt)2(bpp)2(H2O)2]n (2), which were synthesized by hydrothermal reaction from the resp. tetrazole ligand (5-(4-pyridyl)tetrazole (4-H-ptz) for 1 and 5,5′-(1,4-phenylene)bis(1-H-tetrazole) (H2bdt) for 2), long and flexible pyridyl-containing ligand 1,3-bi(4-pyridyl)propane (bpp), NaN3, and CoCl2. Both 1 and 2 consist of well-isolated 1-dimensional cobalt(II) alternating chains further linked by the bpp and/or the tetrazole ligand, while their chain structures are totally different. The chains of 1 are formed by Co2+ ions bridged by single μ-EE-N3 and triple (μ-EO-N3)(μ-tetrazole)2 alternately, whereas the Co2+ ions are bridged by μ3-OH to form Co3(OH)2 chains in compound 2. Magnetic measurements demonstrate that compound 1 contains an alternating antiferromagnetic (AF)/ferromagnetic (FM) ferrimagnetic chain, while compound 2 exhibits the coexistence of spin canting, slow magnetic dynamics, and finite-size effect, with alternating AF/AF/FM ferrimagnetic chains.

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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 natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 3411-48-1, is researched, SMILESS is C1=CC2=C(C=C1)C(=CC=C2)P(C1=CC=CC2=C1C=CC=C2)C1=CC=CC2=C1C=CC=C2, Molecular C30H21PJournal, Article, Acta Crystallographica, Section E: Structure Reports Online called (Acetylacetonato-κ2O,O’)carbonyl[tris(naphthalen-1-yl)phosphane-κP]rhodium(I) acetone hemisolvate, Author is Ogutu, Hezron; Meijboom, Reinout, the main research direction is mol structure rhodium acetylacetonato carbonyl naphthalenylphosphane complex acetone solvate; crystal structure rhodium acetylacetonato carbonyl naphthalenylphosphane complex acetone solvate.Application In Synthesis of Tri(naphthalen-1-yl)phosphine.

The title compound, [Rh(C5H7O2)(C30H21P)(CO)]·0.5C3H6O, has two different complex mols. in the asym. unit, with the RhI atoms in slightly distorted square-planar coordination environments. The mols. are packed as two monomeric mols. with one acetone solvent mol. sitting at the center. Crystallog. data and at. coordinates are given.

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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

Application In Synthesis of Tri(naphthalen-1-yl)phosphine. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: Tri(naphthalen-1-yl)phosphine, is researched, Molecular C30H21P, CAS is 3411-48-1, about Mixtures of monodentate P-ligands as a means to control the diastereoselectivity in Rh-catalyzed hydrogenation of chiral alkenes. Author is Reetz, Manfred T.; Guo, Hongchao.

The concept of using mixtures of monodentate ligands in a combinatorial manner in order to influence enantio- or regioselectivity of transition metal catalyzed processes has been extended to include diastereoselectivity. Accordingly, 1,2- and 1,3-asym. induction in the Rh-catalyzed hydrogenation of a chiral allylic alc. and a chiral homo-allylic alc. has been studied by using mixtures of monodentate P-ligands. It was found that appropriate 1:1 mixtures of two different P-ligands enhance the degree of diastereoselectivity relative to the use of the resp. pure ligands themselves. Here, as in the previous cases regarding enantio- or regioselectivity, this type of combinatorial catalysis led to improved catalytic profiles without the need to prepare ligands.

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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: 5-(4-Pyridyl)-1H-tetrazole, is researched, Molecular C6H5N5, CAS is 14389-12-9, about (E)-1,2-Bis(5-aryl-1,3,4-oxadiazol-2-yl)ethenes, the main research direction is ethylenebisoxadiazole preparation; oxadiazole ethylenebis preparation; tetrazole fumaroyl chloride Huisgen.HPLC of Formula: 14389-12-9.

The title compounds (I) were prepared by acylation of the corresponding tetrazoles with fumaryl chloride and subsequent thermal ring transformation. The modified Huisgen reaction renders a new pathway to 3-(1,3,4-oxadiazol-2-yl)propenoic acids and subsequently to I with different substituents.

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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: C26H24P2. 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 Fluorinated Cycloplatinated(II) Complexes Bearing Bisphosphine Ligands as Potent Anticancer Agents. Author is Shahsavari, Hamid R.; Hu, Jiyun; Chamyani, Samira; Sakamaki, Yoshie; Aghakhanpour, Reza Babadi; Salmon, Christopher; Fereidoonnezhad, Masood; Mojaddami, Ayyub; Peyvasteh, Parnian; Beyzavi, Hudson.

A family of cationic cycloplatinated(II) complexes [Pt(dfppy)(P^P)]Cl incorporating bisphosphine ligands was prepared: (dfppy = 2-(2,4-difluorophenyl)pyridine; P^P = bis(diphenylphosphino)methane (1, dppm), 1,2-bis(diphenylphosphino)ethane (2, dppe), 1,2-bis(diphenylphosphino)benzene (3, dppbz)). The complexes were characterized by several anal. and spectroscopic methods. These complexes displayed acceptable stability in biol. environments, which was confirmed by NMR, HR ESI-MS, and UV-visible techniques. The antiproliferative properties of these complexes were evaluated by the National Cancer Institute (NCI) against 60 different human tumor cell lines such as leukemia, melanoma, lung, colon, brain, ovary, breast, prostate, and kidney. These complexes showed higher cytotoxicity in comparison to cisplatin against a wide variety of cancer cell lines such as K-562 (leukemia), HOP-92 (lung), HCT-116 (colon), OVCAR-8 (ovarian), PC-3 (prostate), MDA-MB-468 (breast), and melanoma cancer cell lines. Complex 3, as the most potent compound furnished an excellent antiproliferative activity in comparison to cisplatin against Hela, SKOV3, and MCF-7 cancer cell lines. The main mode of the interactions of 1-3 with DNA was also determined using mol. docking studies.

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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: 5-(4-Pyridyl)-1H-tetrazole, is researched, Molecular C6H5N5, CAS is 14389-12-9, about Solvothermal Synthesis and Diverse Coordinate Structures of a Series of Luminescent Copper(I) Thiocyanate Coordination Polymers Based on N-Heterocyclic Ligands, the main research direction is copper thiocyanate aminopyridyltriazole pyridyltetrazole pyridylbenzimidazole polymeric complex preparation structure; crystal structure copper thiocyanate aminopyridyltriazole pyridyltetrazole pyridylbenzimidazole polymeric complex; luminescence copper thiocyanate aminopyridyltriazole pyridyltetrazole pyridylbenzimidazole polymeric complex; thermal decomposition copper thiocyanate aminopyridyltriazole pyridyltetrazole pyridylbenzimidazole polymeric complex.Safety of 5-(4-Pyridyl)-1H-tetrazole.

Solvothermal reactions of CuSCN with 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole (3-Abpt), 5-(4-pyridyl)tetrazole (4-Ptz), and 2-(n-pyridyl)benzimidazole (n-PyHBIm, n = 4, 3, 2) in MeCN afford six novel coordination polymers: [Cu5(SCN)5(3-Abpt)2]n (1), [Cu(SCN)(3-Abpt)]n (2), [Cu(SCN)(4-Ptz)]n (3), [Cu2(SCN)2(4-PyHBIm)]n (4), [Cu2(SCN)2(3-PyHBIm)]n (5), and [Cu2(SCN)2(2-PyBIm)(2-PyHBIm)]n (6). All these complexes were structurally characterized by x-ray diffraction anal. 1 Is the 1st example of a 1,1,1,3-μ4-tetradentate thiocyanate complex which displays a three-dimensional (3D) polymeric framework constructed from thiocyanate and tetradentate 3-Abpt. 2 Exhibits a two-dimensional (2D) 4.82 network constructed from unidentate thiocyanate and tridentate 3-Abpt. 3 Is a 1-dimensional (1D) ladder-like double-chain polymer assembled by bidentate thiocyanate and 4-Ptz ligands. 4 Shows a 2-dimensional 1,1,3-μ3-thiocyanate Cu 4.82 network where bidentate 4-PyHBIm locates at both sides of the 2-dimensional layer. 5 Displays a 2-dimensional 63 network constructing from 1,1,3-μ3-thiocyanate and bidentate 3-PyHBIm. 6 Is a 1-dimensional 21 helical chain polymer constructing from 1,3-μ2-thiocyanate and 2-PyBIm anion. Bond valence sum (BVS) anal. and magnetic susceptibility indicate that 6 is a mixed-valence compound The coordinate diversity of thiocyanate is discussed. 1-6 Are all thermally stable up to 230-290°. They exhibit yellow or blue luminescence originating from ligand-to-metal charge transfer or ligand-centered emission.

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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 preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 1,5-Dibromopentane( cas:111-24-0 ) is researched.Computed Properties of C5H10Br2.Liang, Yan; He, Dian; Zhou, Deshun; Li, Junshuai; Tang, Lei; Wang, Zhen published the article 《Synthesis, Antibacterial and Pharmacokinetic Evaluation of Novel Derivatives of Harmine N9-Cinnamic Acid》 about this compound( cas:111-24-0 ) in Molecules. Keywords: harmine cinnamic acid derivative antibacterial pharmacokinetic evaluation; antibacterial activity; harmine; pharmacokinetics; synthesis. Let’s learn more about this compound (cas:111-24-0).

A series of 16 new derivatives of harmine N9-Cinnamic acid were synthesized and fully characterized using NMR and MS. The in vitro antibacterial evaluation revealed that most of the synthesized harmine derivatives displayed better antibacterial activities against Gram-pos. strains (S. aureus, S. albus and MRSA) than Gram-neg. strains (E. coli and PA). In particular, compound 3c showed the strongest bactericidal activity with a min. inhibitory concentration of 13.67 μg/mL. MTT assay showed that compound 3c displayed weaker cytotoxicity than harmine with IC50 of 340.30, 94.86 and 161.67 μmol/L against WI-38, MCF-7 and HepG2 cell lines, resp. The pharmacokinetic study revealed that the distribution and elimination of 3c in vivo were rapid in rats with an oral bioavailability of 6.9%.

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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