Tag: M.W=200-250

Heiss, Christophe published the artcilePromoting or preventing haloaryllithium isomerizations: differential basicities and solvent effects as the crucial variables, Recommanded Product: Methyl 2-bromo-3-fluorobenzoate, the main research area is haloaryllithium isomerization basicity solvent effect; aryl carboxylic acid preparation.

Deprotonation-triggered heavy halogen migrations should become a favorite tool in arene synthesis if their occurrence and outcome could be made predictable. Particularly attractive, though extremely rare, are stop-and-go situations where a first intermediate, generated by metalation, can be trapped at -100 °C, whereas at -75 °C halogen migration gives rise to an isomer. As shown now, one can conveniently produce the initial aryllithium species by halogen/metal interconversion in toluene at -100 °C, under conditions that preclude halogen migration, and unleash the isomerization process by adding THF at -75 °C.

Synthesis published new progress about Basicity. 647020-71-1 belongs to class bromides-buliding-blocks, name is Methyl 2-bromo-3-fluorobenzoate, and the molecular formula is C8H6BrFO2, Recommanded Product: Methyl 2-bromo-3-fluorobenzoate.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Choi, P. published the artcileConversion of 3-azido-5-phenyl-1,2,4-oxadiazole into benzoyl cyanide; a new thermal fragmentation, Recommanded Product: 3-Bromo-5-phenyl-1,2,4-oxadiazole, the main research area is azidophenyloxadiazole preparation thermal decomposition; oxadiazole azido phenyl preparation pyrolysis; benzoyl cyanide.

Flash vacuum pyrolysis at 550° of the title azide (I), prepared in 50% yield by heating the corresponding 3-bromo compound with KN3/18-crown-6 or LiN3 in anhydrous THF at 90°, gave 70% PhCOCN. The transformation is explained by conversion of the azide into its tetrazole tautomer and thence to a pentaazafulvene (II) by N-O bond cleavage. Loss of N2 gives BzNC which rearranges to PhCOCN.

Tetrahedron Letters published new progress about azidophenyloxadiazole preparation thermal decomposition; oxadiazole azido phenyl preparation pyrolysis; benzoyl cyanide. 23432-94-2 belongs to class bromides-buliding-blocks, name is 3-Bromo-5-phenyl-1,2,4-oxadiazole, and the molecular formula is C8H5BrN2O, Recommanded Product: 3-Bromo-5-phenyl-1,2,4-oxadiazole.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Bektenova, G. A. published the artcileIonization constants of boronic acids and their complexation with diols, Related Products of bromides-buliding-blocks, the main research area is boronic acid ionization constant complexation diol.

Ionization constants of a number of boronic acids were determined spectrophotometrically in aqueous solutions The effect of different substituents on their acid properties is considered. The strongest acids are shown to be phenylboronic acid derivatives containing a nitro group. A model study of the interaction between boronic acids and polyvinyl alc. depending on pH is analyzed to reveal the optimum conditions for the formation of a stable boronate-diol complex.

Russian Journal of Physical Chemistry A published new progress about Absorptivity. 74386-13-3 belongs to class bromides-buliding-blocks, name is 4-Bromo-3-nitrophenylboronic acid, and the molecular formula is C6H5BBrNO4, Related Products of bromides-buliding-blocks.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Garner, Charles W. published the artcileSerum cholinesterase inhibition by boronic acids, SDS of cas: 74386-13-3, the main research area is serum cholinesterase inhibition boronic acid; active site cholinesterase boronic acid.

Horse serum cholinesterase (EC 3.1.1.8) was reversibly inhibited by a variety of alkyl- and areneboronic acids with Ki values ranging from 6.2 mM (methaneboronic acid) to 3.1 μM (diphenylboric acid). Binding to the enzyme was apparently at the active center, because inhibition obeyed competitive kinetics and because boronic acids protected the enzyme from inactivation by phenylmethanesulfonyl fluoride. Boronic acids should prove useful in probing the active center of serum cholinesterase.

Biochimica et Biophysica Acta, Protein Structure and Molecular Enzymology published new progress about Blood serum. 74386-13-3 belongs to class bromides-buliding-blocks, name is 4-Bromo-3-nitrophenylboronic acid, and the molecular formula is C6H5BBrNO4, SDS of cas: 74386-13-3.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Kiehlmann, E. published the artcileBromophloroglucinols and their methyl ethers, Quality Control of 84743-77-1, the main research area is phloroglucinol bromo; resorcinol bromo; methoxyphenol bromo; bromination phloroglucinol resorcinol methoxyphenol.

All 16 bromination products of phloroglucinol and its Me ethers, as well as five bromoresorcinols and three of their di-Me ethers, were synthesized and analyzed by NMR spectroscopy. Two or three equivalent of Br convert phloroglucinol to di- and tribromophloroglucinol, 5-methoxyresorcinol to the tri- and 2,4-dibromo, 3,5-dimethoxyphenol to the tri- and 2,6-dibromo, and 1,3,5-trimethoxybenzene to the dibromo derivative With 1 equiv of Br, 3,5-dimethoxyphenol reacts preferentially at C-2 while 5-methoxyresorcinol gives both monobromo isomers. Partial debromination with Na2SO3 yields successively 2,4-dibromo- and 2-bromo-5-methoxyresorcinol from the tribromo compound but fails with brominated 3,5-dimethoxyphenol. In the resorcinol series, C-2 is invariably the least reactive position. 4,6-Dibromo-5-methoxyresorcinol and 2,4-dibromo-3,5-dimethoxyphenol are accessible by methylation of dibromophloroglucinol, obtained from 3,5-dibromo-2,4,6-trihydroxybenzoic acid by decarboxylation. In contrast to resorcinol and tribromoresorcinol, the partial bromination of phloroglucinol and debromination of tribromophloroglucinol are not selective. The 13C-NMR spectra of bromophloroglucinol Me ethers show characteristic downfield shifts for methoxy groups orthogonal to the aromatic ring plane.

Canadian Journal of Chemistry published new progress about Bromination. 84743-77-1 belongs to class bromides-buliding-blocks, name is 2-Bromobenzene-1,3,5-triol, and the molecular formula is C6H5BrO3, Quality Control of 84743-77-1.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Guo, Cui published the artcilePalladium-catalyzed annulation reactions of methyl o-halobenzoates with azabicyclic alkenes: a general protocol for the construction of benzo[c]phenanthridine derivatives, Application In Synthesis of 647020-71-1, the main research area is benzophenanthridine preparation palladium catalysis annulation methyl halobenzoate azabicyclic alkene.

The annulation reaction of Me o-halobenzoates with azabicyclic alkenes proceeds efficiently to give the corresponding benzo[c]phenanthridine derivatives in good to excellent yields using a developed base-free methodol. based on our preliminary studies. Thirty-seven application examples validate the compatibility of the present strategy with different groups, particularly with the electron-deficient ones, that are difficult to access using other traditional methods. In addition, annulation reactions with non-sym. azabicyclic alkenes are achieved in high regioselectivity.

RSC Advances published new progress about Cyclization. 647020-71-1 belongs to class bromides-buliding-blocks, name is Methyl 2-bromo-3-fluorobenzoate, and the molecular formula is C8H6BrFO2, Application In Synthesis of 647020-71-1.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Nishiyama, Yuko published the artcileStructure-activity relationship-guided development of retinoic acid receptor-related orphan receptor gamma (RORγ)-selective inverse agonists with a phenanthridin-6(5H)-one skeleton from a liver X receptor ligand, Synthetic Route of 74317-85-4, the main research area is retinoate receptor orphan gamma ROR phenanthridinone skeleton liver X; Inverse agonist; LXR; Phenanthridinone; ROR.

Retinoic acid receptor-related orphan receptors (RORs), which belong to the nuclear receptor superfamily, regulate many physiol. processes, including hepatic gluconeogenesis, lipid metabolism, immune function and circadian rhythm. Since RORs resemble liver X receptors (LXRs) in the fold structure of their ligand-binding domains, the authors speculated that ROR-mediated transcription might be modulated by LXR ligands, in line with the multi-template hypothesis. Therefore, the authors screened the authors’ LXR ligand library for compounds with ROR ligand activity and identified a novel ROR ligand with a phenanthridin-6(5H)-one skeleton. Structure-activity relationship studies aimed at separating ROR inverse agonistic activity from LXR-agonistic activity enabled the authors to develop a series of ROR inverse agonists based on the phenanthridin-6(5H)-one skeleton, including a RORγ-selective inverse agonist.

Bioorganic & Medicinal Chemistry published new progress about Circadian rhythm. 74317-85-4 belongs to class bromides-buliding-blocks, name is 2-Bromo-4-methoxybenzoic acid, and the molecular formula is C8H7BrO3, Synthetic Route of 74317-85-4.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Villalgordo, Jose M. published the artcileNovel Regioselective Synthesis of Urolithin Glucuronides-Human Gut Microbiota Cometabolites of Ellagitannins and Ellagic Acid, Quality Control of 74317-85-4, the main research area is urolithin glucuronide synthesis gut microbiota metabolite ellagitannin ellagate; ellagic acid; glucuronides; gut microbiota metabolites; synthesis; urolithins.

Urolithins (dibenzo-pyran-[b,d]-6 one derivatives) are human gut microbiota metabolites produced from the natural food antioxidant ellagic acid. Urolithins are better absorbed than ellagic acid and demonstrate biol. activities that suggest that they are responsible for the health effects observed after consuming ellagitannin- and ellagic acid-containing foods. Urolithins occur in the systemic circulation as glucuronide conjugates following phase II metabolism These phase II conjugates are essential for testing the urolithin mechanisms of action in human cell line bioassays. Urolithin glucuronides are not com. available, and their biosynthesis leads to mixtures of regional isomers. This study describes a novel and regioselective synthesis of urolithin A (3,8-dihydroxy urolithin) 3- and 8-glucuronides and isourolithin A (3,9-dihydroxy urolithin) 3- and 9-glucuronides. The metabolites were characterized using 1H and 13C NMR spectroscopy and UV spectrophotometry. The presence of these metabolites in human subjects belonging to different urolithin metabotypes was also investigated.

Journal of Agricultural and Food Chemistry published new progress about Drug metabolism. 74317-85-4 belongs to class bromides-buliding-blocks, name is 2-Bromo-4-methoxybenzoic acid, and the molecular formula is C8H7BrO3, Quality Control of 74317-85-4.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Tanaka, Shinji published the artcileSystematic asymmetric analog synthesis of fluspidine, a σ1 receptor ligand, to improve ligand affinity, COA of Formula: C8H7BrO3, the main research area is fluspidine systematic asym preparation sigma receptor ligand.

Herein, fluspidine analogs I (R1 = H, 5-F, 6-Cl, 6-MeO, etc.; R2 = Ph, 3-FC6H4, 4-MeOC6H4, etc.; R3 = CH2F, CH2Cl, CH2Br, CH2I, COOH) were systematically synthesized and screened to improve the ligand affinity. To design the modified ligand analogs, a docking simulation of the protein-ligand complex structure was examined By using the developed synthetic strategy involving asym. catalytic 1,4-reduction of α,β-unsaturated carboxylic esters catalyzed by a chiral cobalt complex, 20 candidates of modified fluspidines were synthesized. The structure-activity relationships showed the development of a hybridized modified fluspidine. In addition, the inhibitory rate could be improved from 45% to 71%. This result demonstrated the importance of the development of a new synthetic method toward improving the ligand performance by providing a series of analogs.

Tetrahedron Letters published new progress about Drug metabolism. 74317-85-4 belongs to class bromides-buliding-blocks, name is 2-Bromo-4-methoxybenzoic acid, and the molecular formula is C8H7BrO3, COA of Formula: C8H7BrO3.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Garner, Charles W. published the artcileBoronic acid inhibitors of porcine pancreatic lipase, Computed Properties of 74386-13-3, the main research area is lipase pancreas inhibition boronic acid.

Porcine pancreatic lipase was inhibited by alkane and arene boronic acids. The inhibition by octadecane boronic acid was competitive when measured against the hydrolysis of dissolved tripropionin in the presence of siliconized glass beads. The value of Ki in this system was 1.34 × 103 mols. μm-2. The ratio of substrate to inhibitor concentrations giving 50% inhibition was in the range 700-2200, indicating that lipase has a greater affinity for boronic acids than for tripropionin. Boronic acids did not interfere with the interaction of lipase with the siliconized glass/water interface, demonstrating that the binding of lipase to substrate interfaces, the 1st step in lipase action, was not the step at which inhibition occurred. The boronic acid binding site on lipase is at or near the active center serine since modification of this residue by di-Et p-nitrophenyl phosphate was prevented by boronic acids. Modification of the active center serine residue by di-Et p-nitrophenyl phosphate also prevented boronic acid binding. Binding of a chromophoric boronic acid, 7-nitrobenzo-2-oxa-1,3-diazolyl m-aminobenzene boronic acid, to lipase was demonstrated by equilibrium gel filtration on polyacrylamide beads (Bio-Gel P-60) in the presence of 4 mM Na taurodeoxycholate. The complex contained 1 mol. of boronic acid/mol. of lipase and had a dissociation constant of 5 × 10-6 M. The boronic acid was not bound in the absence of taurodeoxycholate. Boronic acids are apparently analogs of the tetrahedral intermediate in the action of lipase.

Journal of Biological Chemistry published new progress about Enzyme kinetics. 74386-13-3 belongs to class bromides-buliding-blocks, name is 4-Bromo-3-nitrophenylboronic acid, and the molecular formula is C6H5BBrNO4, Computed Properties of 74386-13-3.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary