Day: April 13, 2022

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 5-(4-Pyridyl)-1H-tetrazole(SMILESS: C1(C2=NN=NN2)=CC=NC=C1,cas:14389-12-9) is researched.Quality Control of 5-(4-Pyridyl)-1H-tetrazole. The article 《Syntheses of 5-Substituted 1H-Tetrazoles Catalyzed by Reusable CoY Zeolite》 in relation to this compound, is published in Journal of Organic Chemistry. Let’s take a look at the latest research on this compound (cas:14389-12-9).

A simple and efficient route for the synthesis of 5-substituted 1H-tetrazoles catalyzed by CoY zeolite is reported. The salient features of this atom-economical, cost-effective, and high-yield cobalt-catalyzed protocol are aerobic conditions, lower reaction time, and milder reaction conditions without additives. Other advantages include exptl. ease of manipulation, safer alternative to hazardous, corrosive, and polluting conventional Lewis acid catalysts, recovery, and reusability with consistent catalytic activity. The results are rationalized by proposing a suitable mechanism.

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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

Electric Literature of C26H24P2. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 1,2-Bis(diphenylphosphino)ethane, is researched, Molecular C26H24P2, CAS is 1663-45-2, about Preparation of Neutral trans – cis [Ru(O2CR)2P2(NN)], Cationic [Ru(O2CR)P2(NN)](O2CR) and Pincer [Ru(O2CR)(CNN)P2] (P = PPh3, P2 = diphosphine) Carboxylate Complexes and their Application in the Catalytic Carbonyl Compounds Reduction. Author is Baldino, Salvatore; Giboulot, Steven; Lovison, Denise; Nedden, Hans Gunter; Pothig, Alexander; Zanotti-Gerosa, Antonio; Zuccaccia, Daniele; Ballico, Maurizio; Baratta, Walter.

The diacetate complexes trans-[Ru(κ1-OAc)2(PPh3)2(NN)] [1, NN = ethylenediamine (en), 2, 2-(aminomethyl)pyridine (ampy), 3, 2-(aminomethyl)pyrimidine (ampyrim)] have been isolated in 76-88% yield by reaction of [Ru(κ2-OAc)2(PPh3)2] with the corresponding nitrogen ligands. The ampy-type derivatives 2 and 3 undergo isomerization to the thermodynamically most stable cationic complexes [Ru(κ1-OAc)(PPh3)2(NN)]OAc (2a, 3a) and cis-[Ru(κ1-OAc)2(PPh3)2(NN)] (2b, 3b) in methanol at RT. The trans-[Ru(κ1-OAc)2(P2)2] (4, P2 = dppm, 5, dppe) compounds have been synthesized from [Ru(κ2-OAc)2(PPh3)2] by reaction with the suitable diphosphine in toluene at 95°. The complex cis-[Ru(κ1-OAc)2(dppm)(ampy)] (6) has been obtained from [Ru(κ2-OAc)2(PPh3)2] and dppm in toluene at reflux and reaction with ampy. The derivatives trans-[Ru(κ1-OAc)2P2(NN)] (7-16; NN = en, ampy, ampyrim, 8-aminoquinoline; P2 = dppp, dppb, dppf, (R)-BINAP) can be easily synthesized from [Ru(κ2-OAc)2(PPh3)2] with a diphosphine and treatment with the NN ligands at RT. Alternatively these compounds have been prepared from trans-[Ru(OAc)2(PPh3)2(NN)] by reaction with the diphosphine in MEK at 50°. The use of (R)-BINAP affords trans-[Ru(κ1-OAc)2((R)-BINAP)(NN)] (11, NN = ampy, 15, ampyrim) isolated as single stereoisomers. Treatment of the ampy-type complexes 8-15 with methanol at RT leads to isomerization to the cationic derivatives [Ru(κ2-OAc)P2(NN)]OAc (8a-15a; NN = ampy, ampyrim; P2 = dppp, dppb, dppf, (R)-BINAP). Similarly to 2, the dipivalate trans-[Ru(κ1-OPiv)2(PPh3)2(ampy)] (18) is prepared from [Ru(κ2-OPiv)2(PPh3)2] (17) and ampy in CHCl3. The pincer acetate [Ru(κ1-OAc)(CNNOMe)(PPh3)2] (19) has been synthesized from [Ru(κ2-OAc)2(PPh3)2] and HCNNOMe ligand in 2-propanol with NEt3 at reflux. In addition, the dppb pincer complexes [Ru(κ1-OAc)(CNN)(dppb)] (20, CNN = AMTP, 21, AMBQPh) have been obtained from [Ru(κ2-OAc)2(PPh3)2], dppb, and HAMTP or HAMBQPh with NEt3, resp. The acetate NN and pincer complexes are active in transfer hydrogenation with 2-propanol and hydrogenation with H2 of carbonyl compounds at S/C values of up to 10000 and with TOF values of up to 160000 h-1.

In addition to the literature in the link below, there is a lot of literature about this compound(1,2-Bis(diphenylphosphino)ethane)Electric Literature of C26H24P2, illustrating the importance and wide applicability of this compound(1663-45-2).

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

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.Li, Mengke; Cai, Xinyi; Chen, Zijian; Liu, Kunkun; Qiu, Weidong; Xie, Wentao; Wang, Liangying; Su, Shi-Jian researched the compound: 1,2-Bis(diphenylphosphino)ethane( cas:1663-45-2 ).Electric Literature of C26H24P2.They published the article 《Boosting purely organic room-temperature phosphorescence performance through a host-guest strategy》 about this compound( cas:1663-45-2 ) in Chemical Science. Keywords: heterocyclic isomer host guest cocrystal room temperature phosphorescence. We’ll tell you more about this compound (cas:1663-45-2).

The host-guest doping system has aroused great attention due to its promising advantage in stimulating bright and persistent room-temperature phosphorescence (RTP). Currently, exploration of the explicit structure-property relationship of bicomponent systems has encountered obstacles. In this work, two sets of heterocyclic isomers showing promising RTP emissions in the solid state were designed and synthesized. By encapsulating these phosphors into a robust phosphorus-containing host, several host-guest cocryst. systems were further developed, achieving highly efficient RTP performance with a phosphorescence quantum efficiency (ϕP) of ~26% and lifetime (τP) of ~32 ms. Detailed photophys. characterization and mol. dynamics (MD) simulation were conducted to reveal the structure-property relationships in such bicomponent systems. It was verified that other than restricting the mol. configuration, the host matrix could also dilute the guest to avoid concentration quenching and provide an external heavy atom effect for the population of triplet excitons, thus boosting the RTP performance of the guest.

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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

Synthetic Route of C5H3Cl2NO2S. 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-Chloro-5-pyridinesulfonyl chloride, is researched, Molecular C5H3Cl2NO2S, CAS is 6684-39-5, about Identification of bicyclic hexafluoroisopropyl alcohol sulfonamides as retinoic acid receptor-related orphan receptor gamma (RORγ/RORc) inverse agonists. Employing structure-based drug design to improve pregnane X receptor (PXR) selectivity. Author is Gong, Hua; Weinstein, David S.; Lu, Zhonghui; Duan, James J.-W.; Stachura, Sylwia; Haque, Lauren; Karmakar, Ananta; Hemagiri, Hemalatha; Raut, Dhanya Kumar; Gupta, Arun Kumar; Khan, Javed; Camac, Dan; Sack, John S.; Pudzianowski, Andrew; Wu, Dauh-Rurng; Yarde, Melissa; Shen, Ding-Ren; Borowski, Virna; Xie, Jenny H.; Sun, Huadong; D’Arienzo, Celia; Dabros, Marta; Galella, Michael A.; Wang, Faye; Weigelt, Carolyn A.; Zhao, Qihong; Foster, William; Somerville, John E.; Salter-Cid, Luisa M.; Barrish, Joel C.; Carter, Percy H.; Dhar, T. G. Murali.

We disclose the optimization of a high throughput screening hit to yield benzothiazine and tetrahydroquinoline sulfonamides as potent RORγt inverse agonists. However, a majority of these compounds showed potent activity against pregnane X receptor (PXR) and modest activity against liver X receptor α (LXRα). Structure-based drug design (SBDD) led to the identification of benzothiazine and tetrahydroquinoline sulfonamide analogs which completely dialed out LXRα activity and were less potent at PXR. Pharmacodynamic (PD) data for compound 35 in an IL-23 induced IL-17 mouse model is discussed along with the implications of a high Ymax in the PXR assay for long term preclin. pharmacokinetic (PK) 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 three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: Tri(naphthalen-1-yl)phosphine(SMILESS: C1=CC2=C(C=C1)C(=CC=C2)P(C1=CC=CC2=C1C=CC=C2)C1=CC=CC2=C1C=CC=C2,cas:3411-48-1) is researched.Recommanded Product: 2-Aminoquinazolin-4(3H)-one. The article 《Hydrogenation of Secondary Amides using Phosphane Oxide and Frustrated Lewis Pair Catalysis》 in relation to this compound, is published in Chemistry – A European Journal. Let’s take a look at the latest research on this compound (cas:3411-48-1).

The metal-free catalytic hydrogenation of secondary amides for synthesis of amines RCH2NHR1 [R = i-Pr, Ph, 4-BrC6H4, etc.; R1 = Me, Et, Ph, etc.] was developed. The reduction was realized by two new catalytic reactions. First, the amide was converted into the imidoyl chloride by triphosgene (CO(OCCl3)2) using novel phosphorus(V) catalysts. Second, the in situ generated imidoyl chlorides were hydrogenated in high yields by an FLP-catalyst. Mechanistic and quantum mech. calculations supported an autoinduced catalytic cycle for the hydrogenation with chloride acting as unusual Lewis base for FLP-mediated H2-activation.

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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

Safety of 1,2-Bis(diphenylphosphino)ethane. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 1,2-Bis(diphenylphosphino)ethane, is researched, Molecular C26H24P2, CAS is 1663-45-2, about 31P NMR spectroscopic analysis on photooxidation of 1,n-bis(diphenylphosphino)alkanes with the aid of DFT calculations. Author is Yasui, Shinro; Yamazaki, Shoko.

The chloroform-d solution of diphosphine, 1,n-bis(diphenylphosphino)alkane (Ph2P(CH2)nPPh2; n = 1-6), was photolyzed with light from a xenon lamp in air. The progress of the reaction was followed by 31P NMR spectroscopy. The observed spectral change showed that the diphosphine is initially oxidized to diphosphine monoxide, Ph2P(=O)(CH2)nPPh2, which is further oxidized to diphosphine dioxide, Ph2P(=O)(CH2)nP(=O)Ph2. The oxidation of the diphosphine to the diphosphine monoxide took place according to first-order kinetics with respect to the concentration of the diphosphine, the first-order rate constant, kobs, being larger with increasing number of the methylene units in the spacer. The observation in kinetics is interpreted based on the conformation of the diphosphine radical cation intermediate initially generated by electron transfer from the photoexcited diphosphine to oxygen. D. functional theory (DFT) calculations predict that the diphosphine radical cation takes “”folded”” conformation where two phosphorus atoms are arranged closely to each other. The “”folded”” conformer of the diphosphine radical cation results from electrostatic interaction of these two phosphorus atoms. This conformer explains the observed dependency of kobs on the length of the spacer in the diphosphine.

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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 《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.

In addition to the literature in the link below, there is a lot of literature about this compound(2-Aminoquinazolin-4(3H)-one)Name: 2-Aminoquinazolin-4(3H)-one, illustrating the importance and wide applicability of this compound(20198-19-0).

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