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【结 构 式】

【分子编号】15465

【品名】4-chloro-o-cresol; 4-chloro-2-methylphenol

【CA登记号】1570-64-5

【 分 子 式 】C7H7ClO

【 分 子 量 】142.58468

【元素组成】C 58.97% H 4.95% Cl 24.86% O 11.22%

与该中间体有关的原料药合成路线共 1 条

合成路线1

该中间体在本合成路线中的序号:(I)

4-Chloro-2-methylphenol (I) is condensed with 2,4,6-trichloroaniline (II) by heating to 120-140 C with amyl nitrite for 18 hours. The excess phenol is removed in vacuo; the residue is adsorbed on silica gel, applied to the top of a silica gel column and the crude phenolic fraction isolated by elution with hexane/acetone (95:5). The phenolic fraction, which contains 2-methyl-2'4,4',6-tetrachlorobiphenylol (III) and other isomers, is dissolved in dimethyl sulfoxide, anhydrous sodium carbonate is added, and the mixture is then heated with stirring at 160 C for 2 hours. The cyclization product, 1,3,8-trichloro-6-methyldibenzofuran (MCDF) is isolated by column chromatography and further purified by crystallization from methanol or methanol/anisole.

1 Safe, S.H.; MCDF. Drugs Fut 1992, 17, 7, 564.
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(I) 15465 4-chloro-o-cresol; 4-chloro-2-methylphenol 1570-64-5 C7H7ClO 详情 详情
(II) 15466 2,4,6-Trichloroaniline; 2,4,6-Trichlorophenylamine 634-93-5 C6H4Cl3N 详情 详情
(III) 15467 2',4',5,6'-tetrachloro-3-methyl[1,1'-biphenyl]-2-ol C13H8Cl4O 详情 详情
Extended Information