Month: April 2022

Safety of tert-Butyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate. 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: tert-Butyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate, is researched, Molecular C11H21NO4, CAS is 389889-80-9, about Discovery of BMS-986318, a Potent Nonbile Acid FXR Agonist for the Treatment of Nonalcoholic Steatohepatitis. Author is Carpenter, Joseph; Wu, Gang; Wang, Ying; Cook, Erica M.; Wang, Tao; Sitkoff, Doree; Rossi, Karen A.; Mosure, Kathy; Zhuo, Xiaoliang; Cao, Gary G.; Ziegler, Milinda; Azzara, Anthony V.; Krupinski, Jack; Soars, Matthew G.; Ellsworth, Bruce Alan; Wacker, Dean A..

Herein we report the discovery and preclin. biol. evaluation of 6-(2-(5-cyclopropyl-3-(3,5-dichloropyridin-4-yl)isoxazol-4-yl)-7-azaspiro[3.5]non-1-en-7-yl)-4-(trifluoromethyl)quinoline-2-carboxylic acid, compound 1 (BMS-986318), a nonbile acid farnesoid X receptor (FXR) agonist. Compound 1 exhibits potent in vitro and in vivo activation of FXR, has a suitable ADME profile, and demonstrates efficacy in the mouse bile duct ligation model of liver cholestasis and fibrosis. The overall profile of compound 1 supports its continued evaluation.

Although many compounds look similar to this compound(389889-80-9)Safety of tert-Butyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate, numerous studies have shown that this compound(SMILES:O=C(N1CCC(CO)(O)CC1)OC(C)(C)C), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

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 Efficient synthesis of isosorbide-based polycarbonate with scalable dicationic ionic liquid catalysts by balancing the reactivity of the endo-OH and exo-OH.Formula: C5H10Br2.

In this study, a series of high-activity imidazole-based dicationic ionic liquids (DILs) were designed and prepared as efficient catalysts for balancing the reactivity between the endo-hydroxyl group (endo-OH) and the exo-hydroxyl group (exo-OH) of isosorbide (ISO) to synthesize high mol. weight poly(isosorbide carbonate) (PIC). Meanwhile, the thermal performance of PIC was precisely optimized by regulating the chain configuration. When the trace amounts (4.5 x 10-5 based on the ISO molar amount) of bis-(3-methyl-1-imidazole)-ethylene dibromide ([C2(Min)2][Br]2) were used, the weight average mol. weight (Mw) of PIC reached 98 700 g mol-1. It could be concluded from the results of the experiment and the stimulation that the high catalytic activity of DILs was attributed to the strong electrostatic interaction between the cation and the substrate and the effective balance of the reactivity of the endo-OH and the exo-OH. Furthermore, we found that the reduction of hydroxyl groups in the terminal groups and the increase of endo-endo (a1) structure in the repeating unit improved the thermal properties of PIC. Finally, 1H NMR, Fourier IR spectroscopy, and d. functional theory (DFT) calculations were used to verify the reaction process through anion and cation multi-site synergistic effect and a possible electrophilic-nucleophilic reaction mechanism was successfully obtained.

Although many compounds look similar to this compound(111-24-0)Formula: C5H10Br2, numerous studies have shown that this compound(SMILES:BrCCCCCBr), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

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 general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Synthesis and characterization of cationic quaternary ammonium geminis (16-s-16) and their role in ninhydrin-[Cu(II)-His]+ reaction, published in 2021, which mentions a compound: 111-24-0, Name is 1,5-Dibromopentane, Molecular C5H10Br2, Related Products of 111-24-0.

Cationic quaternary ammonium gemini surfactants were synthesized by mixing N,N-dimethylcetylamine and α,ω-dibromoalkane. The synthesized products were characterized by C, H, N elemental and 1H NMR analyses. The critical micelle concentration (CMC) of these surfactants with and without additives was calculated by means of the conductivity technique. The role of the synthesized quaternary ammonium geminis in the reaction was investigated by a UV-vis spectroscopy. The rate constant (kψ) was determined at different gemini concentrations and plotted graphically as kψ vs. [16-s-16]. Addnl., the influence of other reaction parameters (viz., reactants, pH, and temperature) was investigated. The binding constants were also determined (KA for [Cu(II)-His]+ and KB for ninhydrin). The resulting kψ-[16-s-16] plot can be understood in terms of a pseudo-phase model of micelles.

Although many compounds look similar to this compound(111-24-0)Related Products of 111-24-0, numerous studies have shown that this compound(SMILES:BrCCCCCBr), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

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

Product Details of 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 Protective cellular immune response induction for cutaneous leishmaniasis by a new immunochemotherapy schedule. Author is Da Silva, Danielle A. M.; Santana, Fabiana R.; Katz, Simone; Garcia, Daniel M.; Teixeira, Daniela; Longo-Maugeri, Ieda M.; Barbieri, Clara L..

The palladacycle complex DPPE 1.2 was previously shown to inhibit Leishmania (Leishmania) amazonensis infection in vitro and in vivo. The present study aimed to evaluate the effect of DPPE 1.2 associated with a recombinant cysteine proteinase, rLdccys1, and the adjuvant Propionibacterium acnes on L. (L.) amazonensis infection in two mouse strains, BALB/c, and C57BL/6. Treatment with this association potentiated the leishmanicidal effect of DPPE 1.2 resulting in a reduction of parasite load in both strains of mice which was higher compared to that found in groups treated with either DPPE 1.2 alone or associated with P. acnes or rLdccys1. The reduction of parasite load in both mice strains was followed by immunomodulation mediated by an increase of memory CD4+ and CD8+ T lymphocytes, IFN-γ levels and reduction of active TGF-β in treated animals. No infection relapse was observed 1 mo after the end of treatment in mice which received DPPE 1.2 associated with rLdccys1 or rLdccys1 plus P. acnes in comparison to that exhibited by animals treated with DPPE 1.2 alone. Evaluation of serum levels of AST, ALT, urea, and creatinine showed no alterations among treated groups, indicating that this treatment schedule did not induce hepato or nephrotoxicity. These data indicate the potential use of this association as a therapeutic alternative for cutaneous leishmaniasis caused by L. (L) amazonensis.

Although many compounds look similar to this compound(1663-45-2)Product Details of 1663-45-2, numerous studies have shown that this compound(SMILES:P(CCP(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

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

George, Bobby J.; Dib, Hicham H.; Abdallah, Mariam R.; Ibrahim, Maher R.; Khalil, Nasser S.; Ibrahim, Yehia A.; Al-Awadi, Nouria A. published an article about the compound: 2-Aminoquinazolin-4(3H)-one( cas:20198-19-0,SMILESS:O=C1NC(N)=NC2=C1C=CC=C2 ).Recommanded Product: 2-Aminoquinazolin-4(3H)-one. 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.

The kinetics, product anal. and theor. studies for selective deprotection of N-arylideneamino pyridone, pyrimidinone and triazinone systems were carried out. Their reactivities were compared with each other and with related compounds previously studied. This reaction represents an efficient, clean and general synthetic procedure for the protection and selective synthesis of potential biol. active pyridines, pyrimidines and triazines and their derivatives

Although many compounds look similar to this compound(20198-19-0)Recommanded Product: 2-Aminoquinazolin-4(3H)-one, numerous studies have shown that this compound(SMILES:O=C1NC(N)=NC2=C1C=CC=C2), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

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 《Reactions in sunlight with alcoholic ammonia. VI. The reaction with some indolic compounds》. Authors are Capuano, Salvatore; Giammanco, Lorenzo.The article about the compound:2-Aminoquinazolin-4(3H)-onecas:20198-19-0,SMILESS:O=C1NC(N)=NC2=C1C=CC=C2).Computed Properties of C8H7N3O. Through the article, more information about this compound (cas:20198-19-0) is conveyed.

In view of the results obtained with pyrrolic compounds (C.A. 50, 7807f), and the fact that O is necessary in the reaction of pyrroles with NH3, the behavior of indole (I), α-phenylindole (II), and isatin (III) was studied. The results show that, here too, O is necessary in the sunlight reaction. I (10 g.) in 500 cc. 95.% EtOH saturated with NH3, exposed (while closed) to sunlight for 1 hr., gives a dark red solution and a brown precipitate, which, purified by EtOH, yields 2,4(1H,3H)-quinazolinedione (IV). II (32 g.) in 1000 cc. alc. NH3, exposed (while closed) to sunlight for 6 months, concentrated in vacuo, allowed to stand until the brown oil has solidified, and the solid purified by dioxane, gives 2-phenyl-4(1H)-quinazolinone (V), m. 232-5°. Addition of H2O to the mother liquor precipitates a greenish resin. V can be prepared by the method of Finger-Schupp [J. prakt. Chem. 74, 154(1906)], or as follows: a mixture of equimolar weights o-H2NC6H4CO2H and HN:CPhNH2.HCl, heated until no more NH3 and NH4Cl are evolved, the yellow oil poured into H2O, and the precipitate purified by EtOH or dioxane, gives V, m. 238-40°. III in alc. NH3 gives a dark red solution, which, exposed to sunlight 3 months, precipitates a mixture of a brown substance and white substance. This mixture extracted with hot EtOH, the extract allowed to stand, and the precipitate purified by EtOH, gives 2-imino-2,3-dihydro-4(1H)-quinazolinone (VI). VI and dilute H2SO4, refluxed a long time, give IV. The alc. mother liquor from the separation of VI, concentrated and allowed to stand, and the precipitate purified by AcOH, gives IV. The results show that with I, II, and III, an oxidation reaction takes place at the β-position and that an NH group is introduced between the α- and β-positions. Significant differences in the behavior of pyrroles and indoles in the sunlight process are discussed.

Although many compounds look similar to this compound(20198-19-0)Computed Properties of C8H7N3O, numerous studies have shown that this compound(SMILES:O=C1NC(N)=NC2=C1C=CC=C2), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

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 general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called The geometric and electronic structures of a Ag13Cu10(SAdm)12X3 nanocluster, published in 2020, which mentions a compound: 1663-45-2, Name is 1,2-Bis(diphenylphosphino)ethane, Molecular C26H24P2, Computed Properties of C26H24P2.

Herein, authors report the synthesis and total structure of a Cu-rich alloy nanocluster protected by twelve adamantanethiolate ligands, i.e., [Ag13Cu10(SAdm)12]X3 (-SAdm = SC10H15, X = counterion), which was confirmed by single-crystal x-ray structure determination and electrospray ionization mass spectrometry (ESI-MS). X-ray crystallog. anal. indicated that [Ag13Cu10(SAdm)12]X3 consisted of an icosahedral Ag13 core, covered by a cage-like shell of Cu10(SAdm)12. Furthermore, d. functional theory (DFT) and time-dependent DFT (TD-DFT) calculations on the geometric and electronic structures and KS orbitals and UV-vis spectroscopy were performed on the model [Ag13Cu10(SMe)12]3+ and its monometallic analog [Ag23(SMe)12]3+. This work will deepen the understanding of core-shell Ag-Cu alloy nanoclusters.

Although many compounds look similar to this compound(1663-45-2)Computed Properties of C26H24P2, numerous studies have shown that this compound(SMILES:P(CCP(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

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 5-(4-Pyridyl)-1H-tetrazole. 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: 5-(4-Pyridyl)-1H-tetrazole, is researched, Molecular C6H5N5, CAS is 14389-12-9, about Two Metal-Organic Frameworks Constructed from One-Dimensional Cobalt(II) Ferrimagnetic Chains with Alternating Antiferromagnetic/Ferromagnetic and AF/AF/FM Interaction: Synthesis, Structures, and Magnetic Properties. Author is Yang, Fen; Li, Baiyan; Xu, Wei; Li, Guanghua; Zhou, Qi; Hua, Jia; Shi, Zhan; Feng, Shouhua.

Here, the authors report two three-dimensional metal-organic frameworks [Co2(4-ptz)2(bpp)(N3)2]n (1) and [Co3(OH)2(bdt)2(bpp)2(H2O)2]n (2), which were synthesized by hydrothermal reaction from the resp. tetrazole ligand (5-(4-pyridyl)tetrazole (4-H-ptz) for 1 and 5,5′-(1,4-phenylene)bis(1-H-tetrazole) (H2bdt) for 2), long and flexible pyridyl-containing ligand 1,3-bi(4-pyridyl)propane (bpp), NaN3, and CoCl2. Both 1 and 2 consist of well-isolated 1-dimensional cobalt(II) alternating chains further linked by the bpp and/or the tetrazole ligand, while their chain structures are totally different. The chains of 1 are formed by Co2+ ions bridged by single μ-EE-N3 and triple (μ-EO-N3)(μ-tetrazole)2 alternately, whereas the Co2+ ions are bridged by μ3-OH to form Co3(OH)2 chains in compound 2. Magnetic measurements demonstrate that compound 1 contains an alternating antiferromagnetic (AF)/ferromagnetic (FM) ferrimagnetic chain, while compound 2 exhibits the coexistence of spin canting, slow magnetic dynamics, and finite-size effect, with alternating AF/AF/FM ferrimagnetic chains.

Although many compounds look similar to this compound(14389-12-9)Reference of 5-(4-Pyridyl)-1H-tetrazole, numerous studies have shown that this compound(SMILES:C1(C2=NN=NN2)=CC=NC=C1), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

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: 3411-48-1, is researched, SMILESS is C1=CC2=C(C=C1)C(=CC=C2)P(C1=CC=CC2=C1C=CC=C2)C1=CC=CC2=C1C=CC=C2, Molecular C30H21PJournal, Article, Acta Crystallographica, Section E: Structure Reports Online called (Acetylacetonato-κ2O,O’)carbonyl[tris(naphthalen-1-yl)phosphane-κP]rhodium(I) acetone hemisolvate, Author is Ogutu, Hezron; Meijboom, Reinout, the main research direction is mol structure rhodium acetylacetonato carbonyl naphthalenylphosphane complex acetone solvate; crystal structure rhodium acetylacetonato carbonyl naphthalenylphosphane complex acetone solvate.Application In Synthesis of Tri(naphthalen-1-yl)phosphine.

The title compound, [Rh(C5H7O2)(C30H21P)(CO)]·0.5C3H6O, has two different complex mols. in the asym. unit, with the RhI atoms in slightly distorted square-planar coordination environments. The mols. are packed as two monomeric mols. with one acetone solvent mol. sitting at the center. Crystallog. data and at. coordinates are given.

Although many compounds look similar to this compound(3411-48-1)Application In Synthesis of Tri(naphthalen-1-yl)phosphine, numerous studies have shown that this compound(SMILES:C1=CC2=C(C=C1)C(=CC=C2)P(C1=CC=CC2=C1C=CC=C2)C1=CC=CC2=C1C=CC=C2), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

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 Tri(naphthalen-1-yl)phosphine. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: Tri(naphthalen-1-yl)phosphine, is researched, Molecular C30H21P, CAS is 3411-48-1, about Mixtures of monodentate P-ligands as a means to control the diastereoselectivity in Rh-catalyzed hydrogenation of chiral alkenes. Author is Reetz, Manfred T.; Guo, Hongchao.

The concept of using mixtures of monodentate ligands in a combinatorial manner in order to influence enantio- or regioselectivity of transition metal catalyzed processes has been extended to include diastereoselectivity. Accordingly, 1,2- and 1,3-asym. induction in the Rh-catalyzed hydrogenation of a chiral allylic alc. and a chiral homo-allylic alc. has been studied by using mixtures of monodentate P-ligands. It was found that appropriate 1:1 mixtures of two different P-ligands enhance the degree of diastereoselectivity relative to the use of the resp. pure ligands themselves. Here, as in the previous cases regarding enantio- or regioselectivity, this type of combinatorial catalysis led to improved catalytic profiles without the need to prepare ligands.

Although many compounds look similar to this compound(3411-48-1)Application In Synthesis of Tri(naphthalen-1-yl)phosphine, numerous studies have shown that this compound(SMILES:C1=CC2=C(C=C1)C(=CC=C2)P(C1=CC=CC2=C1C=CC=C2)C1=CC=CC2=C1C=CC=C2), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

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