Tag: M.W=100-200

Reference of 2-Aminoquinazolin-4(3H)-one. 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: 2-Aminoquinazolin-4(3H)-one, is researched, Molecular C8H7N3O, CAS is 20198-19-0, about Crystal Structures of tRNA-guanine Transglycosylase (TGT) in Complex with Novel and Potent Inhibitors Unravel Pronounced Induced-fit Adaptations and Suggest Dimer Formation Upon Substrate Binding. Author is Stengl, Bernhard; Meyer, Emmanuel A.; Heine, Andreas; Brenk, Ruth; Diederich, Francois; Klebe, Gerhard.

The bacterial tRNA-guanine transglycosylase (TGT) is a tRNA modifying enzyme catalyzing the exchange of guanine 34 by the modified base preQ1. The enzyme is involved in the infection pathway of Shigella, causing bacterial dysentery. As no crystal structure of the Shigella enzyme is available the homologous Zymomonas mobilis TGT was used for structure-based drug design resulting in new, potent, lin-benzoguanine-based inhibitors. Thorough kinetic studies show size-dependent inhibition of these compounds resulting in either a competitive or non-competitive blocking of the base exchange reaction in the low micromolar range. Four crystal structures of TGT-inhibitor complexes were determined with a resolution of 1.58-2.1 Å. These structures give insight into the structural flexibility of TGT necessary to perform catalysis. In three of the structures mol. rearrangements are observed that match with conformational changes also noticed upon tRNA substrate binding. Several water mols. are involved in these rearrangement processes. Two of them demonstrate the structural and catalytic importance of water mols. during TGT base exchange reaction. In the fourth crystal structure the inhibitor unexpectedly interferes with protein contact formation and crystal packing. In all presently known TGT crystal structures the enzyme forms tightly associated homodimers internally related by crystallog. symmetry. Upon binding of the fourth inhibitor the dimer interface, however, becomes partially disordered. This result prompted further analyses to investigate the relevance of dimer formation for the functional protein. Consultation of the available TGT structures and sequences from different species revealed structural and functional conservation across the contacting residues. This suggests that bacterial and eukaryotic TGT could possibly act as homodimers in catalysis. It is hypothesized that one unit of the dimer performs the catalytic reaction whereas the second is required to recognize and properly orient the bound tRNA for the catalytic reaction.

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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: 2-Aminoquinazolin-4(3H)-one, is researched, Molecular C8H7N3O, CAS is 20198-19-0, about Synthesis of imidazopyrimidines and imidazoquinazolines with a common nitrogen atom, the main research direction is imidazopyrimidine; imidazoquinazoline; cyclocondensation ketone aminopyrimidine aminoquinazoline; pyrimidine amino cyclocondensation ketone; quinazoline amino cyclocondensation ketone.Application of 20198-19-0.

Condensing 2-aminopyrimidine with RCOCHBrR1 (I; R = alkyl aryl, heterocyclyl; R1 = H, alkyl) gave 50-99% imidazopyrimidines II. Thus, 2-amino-4-hydroxy-6-methylpyrimidine and BrCH2COC6H4NO2-p gave 80% III and 18% IV. Similarly, 4-aminopyrimidine V (R2 = H, MeO; R3 = Cl, MeO) with I gave 68-90% VI. The analogous reaction of 2-chloro- or 2-amino-4-quinazolone or 4-aminoquinazoline gave 41-99% VII (R = alkyl, aryl; R1 = H, alkyl; R2 = H, alkyl, aryl) and 47-88% VIII (R = alkyl, aryl, heterocyclyl; R1 = H, alkyl), resp. Hydrolysis of VIII (R = p-BrC6H4, R1 = H) gave 1-(p-bromophenacyl)-1,4-dihydroquinazolin-4-one. 4-Quinazolone and p-BrC6H4COCH2Br gave 3-(p-bromophenacyl)-3,4-dihydroquinazolin-4-one.

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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

Quality Control of 5-(4-Pyridyl)-1H-tetrazole. 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 cationic copper-iodine cluster-based metal-organic framework (MOF) with (4,8)-connected fluorite topology. Author is Wang, Fei; Yu, Rong-Min; Wu, Xiao-Yuan; Lu, Can-Zhong.

A new copper-iodine based metal-organic framework compound, [Cu3(L)I2H2O]n (1) (L = 5-(4-pyridyl)tetrazole), was synthesized by solvothermal method. X-ray anal. shows that compound 1 is a 3-dimensional metal-organic framework constructed by the L ligands linking new discrete Cu6I4 cationic clusters, which has a (4,8)-connected fluorite (flu) topol. network. Photoluminescent (PL) investigation reveals that compound 1 displays strong yellow-light 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

Reference of 2-Aminoquinazolin-4(3H)-one. 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: 2-Aminoquinazolin-4(3H)-one, is researched, Molecular C8H7N3O, CAS is 20198-19-0, about Synthesis of Size-Expanded Nucleobase Analogues for Artificial Base-Pairing Using a Ligand-Free, Microwave-Assisted Copper(I)-Catalyzed Reaction. Author is Radhakrishnan, K.; Das, Soumi; Kundu, Lal Mohan.

In order to incorporate valuable properties to the size-expanded nucleobases, a new catalog of highly substituted 2-aminoquinazolinone derivatives, e.g., I have been synthesized in a one-pot, microwave-directed reaction. Syntheses were carried out using simple reactants such as ortho-halo aromatic carboxylic acids, e.g., 4-bromo-3-thiophenecarboxylic acid and guanidine hydrochloride, in absence of any addnl. ligand. The usefulness of the methodol. could be justified by the diversity of the compounds synthesized, containing functional groups, natural nucleobases, fluorophores or peptide bonds.

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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: 14389-12-9, is researched, SMILESS is C1(C2=NN=NN2)=CC=NC=C1, Molecular C6H5N5Journal, CrystEngComm called New (3,4)-connected intrinsically chiral topology observed in a homochiral coordination polymer from achiral precursors, Author is Wang, Fei; Zhang, Jian; Chen, Shu-Mei; Xie, Yi-Ming; Wu, Xiao-Yuan; Chen, Shan-Ci; Yu, Rong-Min; Lu, Can-Zhong, the main research direction is copper pyridyltetrazole cyanide bridge coordination polymer solvothermal preparation; crystal structure luminescence copper pyridyltetrazole cyanide bridge coordination polymer; NLO homochirality copper pyridyltetrazole cyanide bridge coordination polymer.SDS of cas: 14389-12-9.

An unpredicted (3,4)-connected topol. with intrinsic chirality present in a homochiral coordination polymer [Cu2(L)CN]n (1; L = 5-(4-pyridyl)tetrazole) was first shown here, which reveals a new possibility for the construction of lowly-connected chiral framework materials with potential applications.

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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: 5-(4-Pyridyl)-1H-tetrazole( cas:14389-12-9 ) is researched.Application of 14389-12-9.Yang, Gao Wen; Zhang, Yuan Ting; Wu, Qi; Cao, Meng Jie; Wu, Jiao; Yue, Qiu Yan; Li, Qiao Yun published the article 《Nitrogen-rich 5-(4-pyridyl)tetrazole-2-acetic acid and its alkaline earth metal coordination polymers for potential energetic materials》 about this compound( cas:14389-12-9 ) in Inorganica Chimica Acta. Keywords: magnesium calcium strontium barium pyridyltetrazoleacetate polymer preparation thermal explosion; crystal structure magnesium calcium strontium barium pyridyltetrazoleacetate polymer. Let’s learn more about this compound (cas:14389-12-9).

Tetrazole and its derivatives with rich nitrogen atoms may be potential candidates for energetic materials. Alk. earth metal coordination compounds based on such ligands are relatively less investigated. Hpytza was prepared from 4-cyanopyridine and sodium azide, Et bromoacetate, where Hpytza = 5-(4-pyridyl)tetrazole-2-acetic acid. Hpytza and four alk. earth metal coordination polymers [Mg(pytza)2]n (1), [Ca(pytza)2(H2O)2]n·3nH2O (2), [Sr(pytza)2(H2O)2]n (3) and [Ba(pytza)2(H2O)2]n·nH2O (4) were prepared under solvothermal conditions. The thermal behavior of these compounds were characterized by the differential scanning calorimetry (DSC) and thermogravimetric-differential thermogravimetric (TG-DTG) analyses. Furthermore, the critical temperature of thermal explosion and relevant thermal parameters ΔS, ΔH, ΔG of Hpytza and polymers 1-4 were calculated, as well, indicating that these compounds are potential energetic materials.

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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 《Deamination studies on pyrimidine and condensed pyrimidine systems》. Authors are Trattner, Richard B.; Elion, Gertrude B.; Hitchings, George H.; Sharefkin, David M..The article about the compound:2-Aminoquinazolin-4(3H)-onecas:20198-19-0,SMILESS:O=C1NC(N)=NC2=C1C=CC=C2).Name: 2-Aminoquinazolin-4(3H)-one. Through the article, more information about this compound (cas:20198-19-0) is conveyed.

Five representative 2,4-diaminopyrimidines and condensed pyrimidine systems, such as I, were subjected to several deamination procedures. The amino group in the 2-position of the pyrimidine ring can be removed by treatment with nitrous acid, but is resistant to acid or alk. hydrolysis. The 4-amino group is unreactive toward nitrous acid, but is removed by acid or alk. hydrolysis. The fused ring attached to the pyrimidine ring has a pronounced influence on the reactivity of each amino group. The results are consistent with the hypothesis that the reactive intermediates of the 2,4-diaminopyrimidine ring have a p-quinoid structure rather than an o-quinoid form.

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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

Category: chiral-nitrogen-ligands. 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 Crystal structure of tetraaqua-bis(4-(5-tetrazolato)pyridyl-N)zinc(II) dihydrate, Zn(H2O)4(C6H4N5)2·2H2O. Author is Guo, J.-X.; Fu, F.; Li, D.-S.; Li, J.; Tang, L.; Qi, G.-C..

Crystallog. data and at. coordinates are given. In the crystal structure of Zn(4-PTZ)2(H2O)4.2H2O, the zinc atom has an approx. octahedral environment, where two 4 PTZ anions act as monodentate ligands via their pyridine-N atoms in trans positions [d(Zn-N) = 2.135(3) Å]. The structure also contains six water mols., four act as monodentate ligands [d(Zn-O1) = 2.122(2) Å, d(Zn-02) = 2.131(3) Å] and the remaining two as lattice water mols. Within the equatorial plane, the sum of the bond angles [Z 01-Zn-02 = 89.6(1)° and Z 02-Zn-O1′ = 90.4(1)°] around Zn(II) atom is 360°. The apical N-Zn-N bond angle is 180°. The environment of the central atom is similar to that of [Mn[5-(4-pyridyl)tetrazolato]2(H2O)4] [B. Zhang, 2005], in which the central Mn also has an octahedral environment and lies on the crystallog. inversion center. The supramol. title complex possesses two types of hydrogen bonds. One type occurs between coordinating water and lattice water mols. with d(O…O) = 2.741 Å – 2.771 Å and LO-H O… = 165.1 ° – 173.5 °. The other type is between the noncoordinating N atoms of the tetrazolato ligands and six water O atoms with d(N…O) = 2.779 – 2.924 Å and N-H…O = 159.4 – 176.7°. Through these hydrogen bonds, the adjacent mononuclear units are linked into infinite rows parallel to the b,c plane.

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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 《New route to diazine mono-N-oxides》. Authors are Taylor, E. C.; Jefford, C. W..The article about the compound:2-Aminoquinazolin-4(3H)-onecas:20198-19-0,SMILESS:O=C1NC(N)=NC2=C1C=CC=C2).Recommanded Product: 2-Aminoquinazolin-4(3H)-one. Through the article, more information about this compound (cas:20198-19-0) is conveyed.

Treatment of o-O2NC6H4NCO with KCN in aqueous alkali gave o-O2NC6H4NHCOCN, m. 98°, hydrogenation of which in EtOH over PtO2 yielded I, m. 323°. Reduction of I in EtOH-MeNH2 with H and Raney Ni gave 2-amino-3(4H)-quinoxalone, m. >360°. Treatment of H2NCN with o-O2NC6H4COCl in the presence of alkali yielded o-O2NC6H4CONHCN, m. 125°, which was reduced over PtO2 to II, m. 381° (decomposition). Reduction of II with H over Raney Ni gave 2-amino-4(3H)-quinazolone, m. 313° (decomposition).

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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

Quality Control of 5-(4-Pyridyl)-1H-tetrazole. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 5-(4-Pyridyl)-1H-tetrazole, is researched, Molecular C6H5N5, CAS is 14389-12-9, about Solid state coordination chemistry of metal-azolate compounds: Structural consequences of incorporation of phosphate components in the Co(II)/4-pyridyltetrazolate/phosphate system. Author is Darling, Kari; Zubieta, Jon.

The hydrothermal reactions of a cobalt(II) salt and 5-(4-pyridyl)tetrazole in the presence of phosphate provided two three-dimensional materials of the M(II)/azolate/anion family [Co3(4-pt)3(PO4)] (1) and [Co3(H2O)4(4-pt)2(HOPO3)2] (2) (M(II) = Co; azolate = 5-(4-pyridyl)tetrazole or 4-Hpt; and anion = PO43- (1) and HPO42- (2)). The structures were characterized by the incorporation of metal cluster secondary building units (SBU). The structure of 1 features a variant of the common {M3(μ3-O)} sbu with the central bridging ligand provided by a phosphate oxygen rather than the more common oxo- or hydroxy-ligand. These trinuclear units are bridged through the remaining phosphate oxygen donors into chains which are in turn linked through the pyridyltetrazolate ligands into the framework structure. In the case of compound 2, {Co3(H2O)4}6+ linear trinuclear secondary building units are linked to four adjacent clusters through {HOPO3}2- tetrahedra to generate cobalt(II)-hydrogen phosphate layers, which are linked through the 4-pt ligands into the overall framework.

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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