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【结 构 式】

【分子编号】23243

【品名】2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetonitrile

【CA登记号】

【 分 子 式 】C15H19NO2

【 分 子 量 】245.3214

【元素组成】C 73.44% H 7.81% N 5.71% O 13.04%

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:(III)

The condensation of cyclohexanone (I) with 4 methoxyphenylacetonitrile (II) by means of n-butyllithium in THF gives 2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl) acetonitrile (III), which is reduced with H2 over Rh/A12O3 in ethanol-ammonia yielding 1-[2-amino-1-(4 methoxyphenyl)ethyl]cyclohexanol (IV). Finally, this compound is methylated with formaldehyde and formic acid in refluxing water.

1 Husbands, G.E.; et al.; Novel phenethylamine antidepressants. 190th ACS Natl Meet (Chicago) 1985, 20, 29-30, Abst MEDI 80.
2 Morris, G.E.; Muth, E.A.; Yardley, J.P. (American Home Products Corp.); Phenethylamine derivs.. EP 0112669; ES 8702336; GB 2133788; JP 1991135948; JP 1991178953; US 4535186 .
3 Prous, J.; Castaner, J.; WY-45030. Drugs Fut 1988, 13, 9, 839.
4 Yardley, J.P.; Husbands, G.E.M.; Stack, G.; et al.; 2-Phenyl-2-(1-hydroxycycloalkyl)ethylamine derivatives: Synthesis and antidepressant activity. J Med Chem 1990, 33, 10, 2899-905.
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) 11059 Cyclohexanone 108-94-1 C6H10O 详情 详情
(II) 23242 2-(4-methoxyphenyl)acetonitrile; 4-methoxybenzeneacetonitrile 104-47-2 C9H9NO 详情 详情
(III) 23243 2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetonitrile C15H19NO2 详情 详情
(IV) 23244 1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexanol 93413-77-5 C15H23NO2 详情 详情
Extended Information