Month: April 2022

SDS of cas: 1663-45-2. 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 Carboxylation of a Palladacycle Formed via C(sp3)-H Activation: Theory-Driven Reaction Design. Author is Kanna, Wataru; Harabuchi, Yu; Takano, Hideaki; Hayashi, Hiroki; Maeda, Satoshi; Mita, Tsuyoshi.

Theory-driven organic synthesis is a powerful tool for developing new organic transformations. A palladacycle(II), generated from 8-methylquinoline via C(sp3)-H activation, is frequently featured in the scientific literature, albeit that the reactivity toward CO2, an abundant, inexpensive, and non-toxic chem., remains elusive. Authors have theor. discovered potential carboxylation pathways using the artificial force induced reaction (AFIR) method, a d.-functional-theory (DFT)-based automated reaction path search method. The thus obtained results suggest that the reduction of Pd(II) to Pd(I) is key to promote the insertion of CO2. Based on these computational findings, they employed various one-electron reductants, such as Cp*2Co, a photoredox catalyst under blue LED irradiation, and reductive electrolysis ((+)Mg/(-)Pt), which afforded the desired carboxylated products in high yields. After screening phosphine ligands under photoredox conditions, they discovered that bidentate ligands such as dppe promoted this carboxylation efficiently, which was rationally interpreted in terms of the redox potential of the Pd(II)-dppe complex as well as on the grounds of DFT calculations They are convinced that these results could serve as future guidelines for the development of Pd(II)-catalyzed C(sp3)-H carboxylation reactions with CO2.

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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

Fernandes, Daniel J.; Cardenas, Rafael M.; Bertino, Joseph R.; Hynes, John B. published an article about the compound: 2-Aminoquinazolin-4(3H)-one( cas:20198-19-0,SMILESS:O=C1NC(N)=NC2=C1C=CC=C2 ).Formula: C8H7N3O. 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.

A series of title compounds (I; Z = NHCH2, CH2NH, CH2NMe, CH2S, CH2O, (CH2)2, CHONCH2) were evaluated as inhibitors of colon adenocarcinoma and the folate-dependent enzymes, thymidylate synthase  [9031-61-2] and dihydrofolate reductase  [9002-03-3]. Of the drugs tested, IAHQ (I; Z = NHCH2) [56239-21-5], when administered at 85 mg/kg on days 2 and 10 after tumor implantation, delayed the growth of colon tumor Number 38, and resulted in 6 of 20 tumor-free animals at 90 days. In contrast, methotrexate had no effect on the growth of colon tumor Number 38 at maximally tolerated doses. IAHQ was also active against human colon adenocarcinoma cells (HCT-8) in tissue culture, requiring a concentration of 5 × 10-7 M to inhibit cell growth by 50% after 72 h continuous exposure.

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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: 5-(4-Pyridyl)-1H-tetrazole(SMILESS: C1(C2=NN=NN2)=CC=NC=C1,cas:14389-12-9) is researched.Safety of 2-(7-Bromo-1H-indol-3-yl)acetic acid. The article 《Secondary spacer modulated assembly of polyoxometalate based metal-organic frameworks》 in relation to this compound, is published in Dalton Transactions. Let’s take a look at the latest research on this compound (cas:14389-12-9).

To study the influence of a secondary spacer on the resulting structures of POMOFs containing pytz, five new compounds with different dimensionalities, [Cu5(2-pytz)6(H2O)4][SiMo12O40]·3H2O (1), [Cu3(2-pytz)4bipy][H2SiMo12O40]·bipy (2), [Cu3(2-pytz)2(bipy)4(H2O)6][H4SiW12O40]2·6H2O (3), [Cu2(2-pytz)(phen)(OH)]2[SiW12O40]·H2O (4), [Cu3(4-pytz)4(H2O)4][H2SiW12O40]·2H2O (5) (pytz = pyridyltetrazole), were synthesized. When only 2-pytz was employed, compound 1 with a 3D framework was obtained, whereas when the secondary spacers (4,4′-bipy, phen and 4-pytz) were introduced into the reaction system of 1, compounds 2-5 were obtained and exhibit a broad range of structures, including 0D, 1D, 2D and 3D frameworks. It can be observed from the architectures of compounds 1-5 that the secondary spacers have a great effect on the structures of the MOFs, which gave various dimensional POMOF compounds Addnl., photocatalytic experiments of 1-5 for the photocatalytic degradation of RhB under UV irradiation were also studied.

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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 compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, Acta Crystallographica, Section E: Crystallographic Communications called Crystal structure of 1-[(6-chloropyridin-3-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline, Author is Jeyaseelan, S.; Rajegowda, H. R.; Britto Dominic Rayan, R.; Raghavendra Kumar, P.; Palakshamurthy, B. S., which mentions a compound: 6684-39-5, SMILESS is ClC1=NC=C(C=C1)[S](=O)(=O)Cl, Molecular C5H3Cl2NO2S, HPLC of Formula: 6684-39-5.

The tetrahydropyridine ring of the quinoline system in the title compound, C14H13ClN2O2S, adopts a half-chair conformation with the bond-angle sum at the N atom being 350.0°. The dihedral angle between the least-squares planes of the two aromatic rings is 50.13 (11)°. In the crystal, inversion dimers linked by pairs of C-H···O hydrogen bonds generate R 2 2(10) loops. Addnl. intermol. C-H···O hydrogen bonds generate C(7) chains along [100].

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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

Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 14389-12-9, is researched, Molecular C6H5N5, about Syntheses Study of Keggin POM Supporting MOFs System, the main research direction is preparation silver pyridyltetrazolate molybdate tungstate Keggin MOF; crystal structure silver pyridyltetrazolate molybdate tungstate Keggin MOF; luminescence silver pyridyltetrazolate molybdate tungstate Keggin MOF.Reference of 5-(4-Pyridyl)-1H-tetrazole.

To study the influence of reactive conditions on the structures of Keggin POM supporting metal-organic frameworks (MOFs), five new compounds, [Ag6(2-pytz)4(H2O)2][HPMo12O40] (1), {[Ag14(2-pytz)12(H2O)4][H2PMo12O40]2}·3H2O (2), {[Ag6(2-pytz)4(H2O)4][H2SiW12O40]}·6H2O (3), {[Ag3(3-pytz)2]2·[AgPMo12O40]}·2H2O (4), [Ag6(4-pytz)4][HPMo12O40] (5) [pytz = 5-(pyridyl)tetrazolate], were hydrothermally synthesized by tuning the reactive species and pH values and characterized by routine method and single-crystal x-ray crystallog. Although compounds 1-5 all show the POM supporting 3-dimensional MOFs skeleton, MOFs exhibit diverse structures and POMs play different supporting functions, more specifically, pseudo POM chains supporting MOFs in 1 and 2, isolated POM spheres supporting MOFs in 3, true POM chains supporting MOFs in 4, and pseudo POM layers supporting MOFs in 5. The roles of the pH value, pytz derivatives, and the Keggin homologs in the formation of the POM supporting MOFs are discussed. The photoluminescence properties of compounds 1-3 were studied in the solid state at room temperature

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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

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 1,5-Dibromopentane, is researched, Molecular C5H10Br2, CAS is 111-24-0, about Ether- and Thioether-Linked Naphthalene-Based Liquid-Crystal Dimers: Influence of Chalcogen Linkage and Mesogenic-Arm Symmetry on the Incidence and Stability of the Twist-Bend Nematic Phase.Category: chiral-nitrogen-ligands.

The twist-bend nematic (NTB) phase with a heliconical nanostructure of the local director generating symmetry breaking by achiral bent-shaped mols. is a hot topic of current liquid-crystal science. As opposed to the most common methylene-linked dimers, this study demonstrates chalcogen ether- and/or thioether-linked 6-(4-cyanophenyl)-2-naphthyl-based liquid-crystal dimers with sym. and asym. π-conjugated mesogenic-arm structures that exhibit the NTB phase. Although the sym. bis(ether)-linked dimer exhibits only the conventional nematic (N) phase, the asym. bis(ether)-linked dimer can form the NTB phase. All thioether-linked dimers form the NTB phase, wherein the dimers with asym. arms vitrify in the NTB phase on cooling to room temperature The phase transitions are discussed in terms of the chalcogen linkage combination, mesogenic-arm symmetry, and spacer length. It is revealed that thioether-linked dimers based on asym. π-conjugated mesogenic arms with terminal cyano groups are highly beneficial for the realization of materials that form a wide range of NTB phases and glassy NTB states at room temperature

This literature about this compound(111-24-0)Category: chiral-nitrogen-ligandshas given us a lot of inspiration, and I hope that the research on this compound(1,5-Dibromopentane) can be further advanced. Maybe we can get more compounds in a similar way.

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

Townrow, Oliver P. E.; Chung, Cheuk; Macgregor, Stuart A.; Weller, Andrew S.; Goicoechea, Jose M. 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 ).Related Products of 1663-45-2. 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.

We report on the synthesis of an alkane-soluble Zintl cluster, [η4-Ge9(Hyp)3]Rh(COD) (I), that can catalytically hydrogenate cyclic alkenes such as 1,5-cyclooctadiene and cis-cyclooctene. This is the first example of a well-defined Zintl-cluster-based homogeneous catalyst.

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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 C6H5N5. 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 A Rare 3D Porous Inorganic-Organic Hybrid Polyoxometalate Framework Based on a Cubic Polyoxoniobate-Cupric-Complex Cage with a High Water Vapor Adsorption Capacity. Author is Zhu, Zeng-Kui; Lin, Ya-Yun; Lin, Li-Dan; Li, Xin-Xiong; Sun, Yan-Qiong; Zheng, Shou-Tian.

A rare 3D porous inorganic-organic polyoxoniobate framework based on the cubic polyoxoniobate-cupric-complex cage {[Cu(en)2]@{[Cu2(en)2(trz)2]6(Nb68O188)}} (1a), was successfully synthesized by a hydrothermal method. The cubic cages 1a are connected with 4-(tetrazol-5-yl)pyridine to form a 1D pillar-like chain structure, and every 1D pillar-like chain is further linked with four adjacent pillar-like chains by the [Cu(en)2]2+ complex to form a 3D porous inorganic-organic polyoxoniobate framework with 4-connected CdSO4-type topol. To our knowledge, it is the first time that three different types of organic ligands are simultaneously introduced into one polyoxoniobate. This material also exhibits a high vapor adsorption capacity and good ionic conductivity properties. A novel 3D porous inorganic-organic hybrid polyoxometalate framework, H20Cu(en)[Cu(en)2]11{[1a][4-Tzp]}2·22en·130H2O (1; en = ethylenediamine; Htrz = 1,2,4-triazole; 4-Tzp = 4-(tetrazol-5-yl)pyridine, 1a = {[Cu(en)2]@{[Cu2(en)2(trz)2]6(Nb68O188)}}22-), based on the cubic polyoxoniobate-cupric-complex cage 1a was successfully synthesized. The cubic cages 1a are connected by 4-Tzp and a [Cu(en)2]2+ complex to form a 3D framework with 4-connected CdSO4-type topol. Compound 1 contains three different ligands and exhibits a high vapor adsorption capacity and a good ionic conductivity

From this literature《A Rare 3D Porous Inorganic-Organic Hybrid Polyoxometalate Framework Based on a Cubic Polyoxoniobate-Cupric-Complex Cage with a High Water Vapor Adsorption Capacity》,we know some information about this compound(14389-12-9)Computed Properties of C6H5N5, but this is not all information, there are many literatures related to this compound(14389-12-9).

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 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 Regioselective Synthesis of Sulfonyl-Containing Benzyl Dithiocarbamates through Copper-Catalyzed Thiosulfonylation of Styrenes. Author is Lai, Miao; Wu, Zhiyong; Li, Shi-Jun; Wei, Donghui; Zhao, Mingqin.

An efficient approach for the preparation of sulfonyl-containing benzyl dithiocarbamates has been developed using tetraalkylthiuram disulfides as the thiolating agents and sulfonyl chlorides as the sulfonyl sources in the presence of the copper catalyst. The dithiocarbamate group together with the sulfonyl group was simultaneously introduced into styrene in chemo- and regioselective manners. This protocol provides a convenient procedure, with good yields and functional group tolerance to various important sulfonyl-containing benzyl dithiocarbamates.

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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: 2-(1-Piperazinylcarbonyl)-1,4-benzodioxane Hydrochloride( cas:70918-74-0 ) is researched.Safety of 2-(1-Piperazinylcarbonyl)-1,4-benzodioxane Hydrochloride.Campbell, Simon F.; Davey, Michael J.; Hardstone, J. David; Lewis, Brian N.; Palmer, Michael J. published the article 《2,4-Diamino-6,7-dimethoxyquinazolines. 1. 2-[4-(1,4-Benzodioxan-2-ylcarbonyl)piperazin-1-yl] derivatives as α1-adrenoceptor antagonists and antihypertensive agents》 about this compound( cas:70918-74-0 ) in Journal of Medicinal Chemistry. Keywords: alpha adrenoceptor antagonist preparation; aminobenzodioxanylcarbonylpiperazinylquinazoline preparation adrenoceptor antagonist; antihypertensive aminobenzodioxanylcarbonylpiperazinylquinazoline; aminomethoxyquinazoline antihypertensive preparation; doxazosin preparation antihypertensive activity; crystal structure methoxydimethylaminobenzodioxanylcarbonylpiperazinyl hydrochloride. Let’s learn more about this compound (cas:70918-74-0).

A series of 4-amino-2-[4-(1,4-benzodioxan-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazoline derivatives (e.g. I; R = H, 6-MeO, 8-MeO, 6-MeCO, 7-MeCO, etc.) was synthesized for evaluation as α-antagonists and antihypertensive agents. Thus, 4-amino-2-chloro-6,7-dimethoxyquinazoline (II) was treated with N-(1,4-benzodioxan-2-yl)piperazine (III) in refluxing BuOH to give 88% I (R = H). Most compounds displayed high (nM) binding affinity for α1-adrenoceptors with no significant activity at α2-sites. Selective antagonism of the α1-mediated vasoconstrictor effects of norepinephrine is also characteristic of the series. Structure-activity relationships for α1-adrenoceptor affinity are presented, and structural similarity between the 2,4-diamino-6,7-dimethoxyquinazoline nucleus and norepinephrine is established. An α1-receptor model is presented in which charge-reinforced hydrogen bonding is important for binding of both antagonist and agonist mols. Antihypertensive activity was evaluated after oral administration (5 mg/kg) to spontaneously hypertensive rats, and several compounds displayed similar efficacy to prazosin when assessed after 6 h.

From this literature《2,4-Diamino-6,7-dimethoxyquinazolines. 1. 2-[4-(1,4-Benzodioxan-2-ylcarbonyl)piperazin-1-yl] derivatives as α1-adrenoceptor antagonists and antihypertensive agents》,we know some information about this compound(70918-74-0)Safety of 2-(1-Piperazinylcarbonyl)-1,4-benzodioxane Hydrochloride, but this is not all information, there are many literatures related to this compound(70918-74-0).

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