• English
  • 简体中文
Login Register
Current Location: Home > Feedback Help Print

【结 构 式】

【分子编号】33782

【品名】4-chloro-1-(1-pyrrolidinyl)-1-butanone

【CA登记号】

【 分 子 式 】C8H14ClNO

【 分 子 量 】175.658

【元素组成】C 54.7% H 8.03% Cl 20.18% N 7.97% O 9.11%

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:(IX)

Ethyl isonipecotate (I) was protected as the N-trityl derivative (II) using triphenylmethyl chloride and triethylamine. Addition of Grignard reagent (IV) (prepared from 1-bromo-4-fluorobenzene (III) and magnesium in Et2O) to (II) produced the diaryl carbinol (V). Alcohol dehydration with simultaneous trityl group cleavage under acidic conditions yielded 4-[bis(4-fluorophenyl)methylene]piperidine (VI). 4-Chlorobutyrylpyrrolidine (IX), prepared by coupling of 4-chlorobutyryl chloride (VII) and pyrrolidine (VIII), was then condensed with piperidine (VI) to yield the target compound.

1 Rae, D.R.; Jaap, D.R. (Akzo Nobel N.V.); Diphenylmethylene piperidine derivs.. EP 0842170; JP 1999508907; US 5935974; WO 9703065 .
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) 17410 Ethyl isonipecotate; ethyl 4-piperidinecarboxylate 1126-09-6 C8H15NO2 详情 详情
(II) 33780 ethyl 1-trityl-4-piperidinecarboxylate C27H29NO2 详情 详情
(III) 29012 1-bromo-4-fluorobenzene 460-00-4 C6H4BrF 详情 详情
(IV) 13643 4-fluorophenyl magnesium bromide;Bromo(4-fluorophenyl)magnesium;bromo(p-fluorophenyl)Magnesium;p-Fluorophenylmagnesium bromide 352-13-6 C6H4BrFMg 详情 详情
(V) 33781 bis(4-fluorophenyl)(1-trityl-4-piperidinyl)methanol C37H33F2NO 详情 详情
(VI) 24706 4-[bis(4-fluorophenyl)methylene]piperidine C18H17F2N 详情 详情
(VII) 11265 4-Chlorobutanoyl chloride; 4-Chlorobutyric acid chloride 4635-59-0 C4H6Cl2O 详情 详情
(VIII) 11376 Pyrrolidine 123-75-1 C4H9N 详情 详情
(IX) 33782 4-chloro-1-(1-pyrrolidinyl)-1-butanone C8H14ClNO 详情 详情
Extended Information