Month: April 2022

Product Details of 6684-39-5. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 2-Chloro-5-pyridinesulfonyl chloride, is researched, Molecular C5H3Cl2NO2S, CAS is 6684-39-5, about A reversed sulfonamide series of selective RORc inverse agonists. Author is van Niel, Monique B.; Fauber, Benjamin P.; Cartwright, Matthew; Gaines, Simon; Killen, Jonathan C.; Rene, Olivier; Ward, Stuart I.; de Leon Boenig, Gladys; Deng, Yuzhong; Eidenschenk, Celine; Everett, Christine; Gancia, Emanuela; Ganguli, Arunima; Gobbi, Alberto; Hawkins, Julie; Johnson, Adam R.; Kiefer, James R.; La, Hank; Lockey, Peter; Norman, Maxine; Ouyang, Wenjun; Qin, Ann; Wakes, Nicole; Waszkowycz, Bohdan; Wong, Harvey.

The identification of a new series of RORc inverse agonists is described. Comprehensive structure-activity relationship studies of this reversed sulfonamide series identified potent RORc inverse agonists in biochem. and cellular assays which were also selective against a panel of nuclear receptors. The work has contributed a compound that may serve as a useful in vitro tool to delineate the complex biol. pathways involved in signaling through RORc. An x-ray cocrystal structure of an analog with RORc has also provided useful insights into the binding interactions of the new series.

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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: Tri(naphthalen-1-yl)phosphine( cas:3411-48-1 ) is researched.Related Products of 3411-48-1.Chardon, Aurelien; Maubert, Orianne; Rouden, Jacques; Blanchet, Jerome published the article 《Metal-free reduction of phosphine oxides, sulfoxides, and N-oxides with hydrosilanes using a borinic acid precatalyst》 about this compound( cas:3411-48-1 ) in ChemCatChem. Keywords: phosphine amine oxide sulfoxide organocatalytic reduction hydrosilane borinate catalyst; borinic acid catalyst hydrosilane reduction phosphine amine oxide sulfoxide; thioether phosphine amine preparation reduction oxide borinic acid organocatalyst. Let’s learn more about this compound (cas:3411-48-1).

The general reduction of phosphine oxides, sulfoxides, and amine N-oxides was achieved by combining bis(2-chlorophenyl)borinic acid with phenylsilane. The reaction was shown to tolerate a wide range of substrates and could be performed under mild conditions, with only 2.5 mol% of the easily synthesized catalyst. Mechanistic investigations pointed to a key borohydride as the real catalyst and at bis(2-chlorophenyl)borinic acid as a precatalyst.

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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

Computed Properties of C5H10Br2. 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: 1,5-Dibromopentane, is researched, Molecular C5H10Br2, CAS is 111-24-0, about Synthesis of ETS-10-like vanadosilicates using 2,6-dimethylpiperidinium cation derivatives as organic templates.

Systematic vanadosilicate syntheses were performed using derivatives of 2,6-dimethylpiperidine as organic structure-directing agents (SDAs). Physicochem. analyses of the vanadosilicate materials obtained were carried out by X-ray diffraction (XRD), Raman spectroscopy, IR spectroscopy, UV-visible (UV-Vis) spectroscopy, and solid-state NMR spectroscopy (29Si and 51V MAS NMR). The exptl. results indicated that the presence of the organic templates had different effects on the final phases of the synthesized vanadosilicates. The XRD results showed that 1,1,2,6-tetramethylpiperidinium (SDA 1) favored synthesis of the known AM-6 vanadosilicates, isostructural to the ETS-10 titanosilicate, while the other organic templates 1,1-diethyl-2,6-dimethylpiperidinium (SDA 2), 6,10-dimethyl-5-azoniaspiro[4.5]decane (SDA 3), and 1,5-dimethyl-6-azoniaspiro[5.5]undecane (SDA 4) directed the formation of vanadosilicates with different phases, such as EVS-10. Strong Raman bands at 870 and 1035 cm-1 indicated vibrational modes associated with the highly sym. vanadia octahedra. Chem. shifts at -96 ppm (29Si MAS NMR), -610, and -570 ppm (51V MAS NMR) provided further evidence of the incorporation of vanadium into the structures of the vanadosilicates prepared using these novel derivatives of 2,6-dimethylpiperidinium cations as SDAs.

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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: 2-Aminoquinazolin-4(3H)-one(SMILESS: O=C1NC(N)=NC2=C1C=CC=C2,cas:20198-19-0) is researched.Quality Control of 2-Aminoquinazolin-4(3H)-one. The article 《Comparative activity of 2-thioxo-, 2-(methylthio)-, 2-(methylseleno)-, and 2-amino-4-quinazolinones toward aromatic amines》 in relation to this compound, is published in O’zbekiston Kimyo Jurnali. Let’s take a look at the latest research on this compound (cas:20198-19-0).

Reactions of title compounds I and II (R = SMe, SeMe, NH2) with arylamines gave II [R = (un)substituted phenyl] were examined The reactivity of the 2-substituents decreased in the following order: SeMe > SMe > NH2 > C:S.

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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

Application In Synthesis 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 Metal-Organic Frameworks Significantly Enhance Photocatalytic Hydrogen Evolution and CO2 Reduction with Earth-Abundant Copper Photosensitizers. Author is Feng, Xuanyu; Pi, Yunhong; Song, Yang; Brzezinski, Carter; Xu, Ziwan; Li, Zhong; Lin, Wenbin.

We report here the design of two multifunctional metal-organic frameworks (MOFs), mPT-Cu/Co and mPT-Cu/Re, comprising cuprous photosensitizers (Cu-PSs) and mol. Co or Re catalysts for photocatalytic hydrogen evolution (HER) and CO2 reduction (CO2RR), resp. Hierarchical organization of Cu-PSs and Co/Re catalysts in these MOFs facilitates multielectron transfer to drive HER and CO2RR under visible light with an HER turnover number (TON) of 18700 for mPT-Cu/Co and a CO2RR TON of 1328 for mPT-Cu/Re, which represent a 95-fold enhancement over their homogeneous controls. Photophys. and electrochem. investigations revealed the reductive quenching pathway in HER and CO2RR catalytic cycles and attributed the significantly improved performances of MOFs over their homogeneous counterparts to enhanced electron transfer due to close proximity between Cu-PSs and active catalysts and stabilization of Cu-PSs and mol. catalysts by the MOF 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

Spillecke, Lena; Tripathi, Shalini; Koo, Changhyun; Bahr, Arne; Swain, Abinash; Haldar, Rajashi; Ansari, Mursaleem; Jasinski, Jerry; Rajaraman, Gopalan; Shanmugam, Maheswaran; Klingeler, Ruediger published an article about the compound: 1,2-Bis(diphenylphosphino)ethane( cas:1663-45-2,SMILESS:P(CCP(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4 ).Quality Control of 1,2-Bis(diphenylphosphino)ethane. 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:1663-45-2) through the article.

To investigate the influence of the coordination geometry on the magnetization relaxation dynamics, two geometric isomers of a five-coordinate low-spin Co(II) complex with the general mol. formula [Co(DPPE)2Cl]SnCl3 (DPPE = diphenylphosphinoethane) were synthesized and structurally characterized. While one isomer has a square pyramidal geometry (Co-SP (1)), the other isomer figures a trigonal bipyramidal geometry (Co-TBP (2)). Both complexes were already reported elsewhere. The spin state of these complexes is unambiguously determined by detailed d.c. (dc) magnetic data, X-band, and high-frequency EPR measurements. Slow relaxation of magnetization is commonly observed for systems with S > 1/2. However, both 1 and 2 show field-induced slow relaxation of magnetization. Especially 1 shows relaxation times up to τ = 35 ms at T = 1.8 K, which is much longer than the reported values for undiluted Co(II) low-spin monomers. In 2, the maximal field-induced relaxation time is suppressed to τ = 5 ms. We attribute this to the change in g-anisotropy, which is, in turn, correlated to the spatial arrangement of ligands (i.e., coordination geometry) around the Co(II) ions. Besides the detailed electronic structure of these complexes, the exptl. observations are further corroborated by theor. calculations

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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

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

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.Arakawa, Yuki; Komatsu, Kenta; Inui, Satoyoshi; Tsuji, Hideto researched the compound: 1,5-Dibromopentane( cas:111-24-0 ).Computed Properties of C5H10Br2.They published the article 《Thioether-linked liquid crystal dimers and trimers: The twist-bend nematic phase》 about this compound( cas:111-24-0 ) in Journal of Molecular Structure. Keywords: thioether linked biphenylcyanide dimer trimer liquid crystal preparation. We’ll tell you more about this compound (cas:111-24-0).

Systematic synthesis of thioether-linked dimers and trimers was carried out to reveal mol. designs for inducing mesophases and twist-bend nematic (NTB) phases. A five-fold approach based on mol. structural parameters including the terminal substituent, the position of the thioether bond, the nature of the bridge bond linking benzene rings in the mesogenic fragments, the nature of bonds at the linkage on the side oppose to the thioether linkage, and oligomeric effect was evaluated. Dimers with cyano groups at the 4,4′-positions in each mesogenic fragment of the thioether-based dimeric system were found to afford a large long-axis directional dipole moment in the fragments and exhibited potential for application as mesogens, with some mols. indicating the ability to form NTB phase. The dimers containing the thioether bond as a part of the spacer and not at the linkage position to the mesogenic fragments deteriorate as twist-bend nematogens but behave as traditional nematogens. Also, imine-, azo- and triple-bond bridged mesogenic fragments lead the dimers to be twist-bend nematogenic. Notably, all asym. thioether-linked cyanobiphenyl dimers with different functional bonds at the linkage on the side oppose to the thioether linkage, such as methylene, ketone, and two-typed esters (C=OO and OC=O) can form NTB phases, with some of them retaining the phase upon cooling to room temperature, which highlights the utility of thioether linkage in the mol. design of twist-bend nematogens. In the trimer system (or oligomeric effect), a cyanobiphenyl-based trimer composed of interior ether and exterior thioether linkers formed an NTB phase. This paper, for the first time, not only reveals the systematic mol. design of thioether-linked dimers but also offers the prospect of the thioether-linked oligomers, for twist-bend nematic liquid crystals.

In some applications, this compound(111-24-0)Computed Properties of C5H10Br2 is unique.If you want to know more details about this compound, you can contact with the author or consult more relevant literature.

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