Day: April 15, 2022

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.

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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: 3411-48-1. 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: Tri(naphthalen-1-yl)phosphine, is researched, Molecular C30H21P, CAS is 3411-48-1, about Gold(I)-catalyzed cyclizations of 1,6-enynes: alkoxycyclizations and exo/endo skeletal rearrangements.

Gold(I) complexes are the most active catalysts for alkoxy- or hydroxycyclization and for skeletal rearrangement reactions of 1,6-enynes. Intramol. alkoxycyclizations also proceed efficiently in the presence of gold(I) catalysts. Examples of the skeletal rearrangement of enynes by the endocyclic cyclization pathway are also documented. Iron(III) is also able to catalyze exo and endo skeletal rearrangements of 1,6-enynes, although the scope of this transformation is more limited. The gold(I)-catalyzed endocyclic cyclization proceeds by a mechanism different from those followed in the presence of PdII, HgII, or RhI catalysts.

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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 Synthesis and antiviral activity of a series of novel quinoline derivatives as anti-RSV or anti-IAV agents, published in 2021-03-15, which mentions a compound: 111-24-0, mainly applied to quinoline preparation antiviral activity antiRSV antiIAV agent; Anti-IAV; Anti-RSV; Quinoline derivatives; Structure-activity relationships; Synthesis, Application of 111-24-0.

The synthesis of a series of novel quinoline derivatives, I [R = pyrrolidin-1-yl, methylamino, morpholin-4-yl, etc; R1 = benzyl, adamantan-1-yl, furan-2-ylmethyl, etc; R2 = H; R1R2 = -(CH2)2O(CH2)2-], II (n = 3, 4, 5) based on the lead compound I (R = pyrrolidin-1-yl; R1 = benzyl; R2 = H) (III), identified from a rRSV-mGFP high-throughput screening assay was reported. The results revealed that target compounds I (R = pyrrolidin-1-yl, R1 = 4-fluorobenzyl, R2 = H; R = pyrrolidin-1-yl, R1 = 4-methoxybenzyl, R2 = H; R = pyrrolidin-1-yl, R1 = 3-methoxybenzyl, R2 = H; R = dimethylamino, R1 = benzyl, R2 = H; R = (S)-3-tert-butoxycarbonylaminopyrrolidin-1-yl, R1 = benzyl, R2 = H) (IC50 = 3.10-6.93μM) had good in vitro activity against RSV, which were better than I (R = pyrrolidin-1-yl, R1 = benzyl, R2 = H) and ribavirin. In addition, it is found that compound I (R = 1-tert-butoxycarbonylpiperazin-4-yl, R1 = benzyl, R2 = H) displayed the lower cytotoxicity (CC50: 2490.33μM) and the highest selective index (SI = 673.06), suggest its promising potential as a candidate for further development. On the other hand, some compounds (IC50: 1.87-14.28μM) were more active against IAV than or comparable to ribavirin (IC50: 15.36 ± 0.93μM). Particularly, the most active compound I (R = (S)-3-tert-butoxycarbonylaminopyrrolidin-1-yl, R1 = benzyl, R2 = H) (IC50: 1.87 ± 0.58μM) was found to be 8.2-fold more potent than the reference drug, which could inhibit the virus transcription and replication cycle at an early stage.

In some applications, this compound(111-24-0)Application of 111-24-0 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

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 1,5-Dibromopentane(SMILESS: BrCCCCCBr,cas:111-24-0) is researched.Reference of 2-Aminoquinazolin-4(3H)-one. The article 《Design, synthesis and biological evaluation of new carbazole-coumarin hybrids as dual binding site inhibitors of acetylcholinesterase》 in relation to this compound, is published in Journal of Molecular Structure. Let’s take a look at the latest research on this compound (cas:111-24-0).

Twelve carbazole-coumarin hybrids I (n = 2, 3, 4, 5; R = H, Me) and II were synthesized and biol. evaluated as dual binding site acetylcholinesterase inhibitors. The compound II (n = 3) had the crystal system of triclinic and the space group of P-1. The cholinesterase inhibitory activity of synthesized compounds I and II was measured using colorimetric Ellman’s method. Compound I [n = 5; R = Me] (III) exhibited good acetylcholinesterase (AChE) inhibitory activity (IC50 value of 6.72μM) and a high selectivity over butyrylcholinesterase (BuChE). Compound II (n = 4) showed the best BuChE inhibitory activity with the IC50 of 0.50μM. The SAR studies revealed that the linker length played a crucial role in determining AChE inhibitory activity and the structure of the coumarin moieties affected the BuChE-inhibition activities of the hybrids. Mol. docking study of compound III indicated that it interacts with the crucial amino acids present at the catalytic active site and peripheral anionic site of AChE. Compound III would be a promising drug candidate to treat AD as a selective and dual binding site inhibitor of AChE.

In some applications, this compound(111-24-0)Formula: 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

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.

In some applications, this compound(20198-19-0)Reference of 2-Aminoquinazolin-4(3H)-one 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