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

【结 构 式】

【分子编号】44356

【品名】tert-butyl 1-(1-cycloocten-1-ylmethyl)-4-piperidinylcarbamate

【CA登记号】

【 分 子 式 】C19H34N2O2

【 分 子 量 】322.49124

【元素组成】C 70.76% H 10.63% N 8.69% O 9.92%

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:(IV)

Cyclooctanone tosylhydrazone was treated with n-BuLi and subsequently reacted with DMF to afford (II). Compound (III) was prepared from 4-tert-butoxycarbonylpiperidine by reductive alkylation with (II). Deprotection of (III) and condensation with 2,7-dichloroxanthen-9-carboxylic acid (IV) using 1,1'-carbonyldiimidazole (CDI) afforded (V). Compound (V) was quaternarized with iodoethane to provide a quaternary ammonium derivative as a mixture of two isomers (cis and trans) attributed to the 4-substituted piperidinium structure in a ratio of 2:1. Finally, the mixture was separated by silica gel column chromatography to give a major isomer, J-113863.

1 Naya, A.; et al.; Design, synthesis, and discovery of a novel CCR1 antagonist. J Med Chem 2001, 44, 9, 1429.
2 Saeki, T.; Naya, A.; J-113863. Drugs Fut 2001, 26, 2, 121.
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) 14209 Cyclooctanone 502-49-8 C8H14O 详情 详情
(II) 37975 1-cyclooctene-1-carbaldehyde C9H14O 详情 详情
(III) 41601 tert-butyl 4-piperidinylcarbamate; 4-tert-Boc-aminopiperidine 73874-95-0 C10H20N2O2 详情 详情
(IV) 44356 tert-butyl 1-(1-cycloocten-1-ylmethyl)-4-piperidinylcarbamate C19H34N2O2 详情 详情
(V) 37972 2,7-dichloro-9H-xanthene-9-carboxylic acid C14H8Cl2O3 详情 详情
(VI) 37976 2,7-dichloro-N-[1-(1-cycloocten-1-ylmethyl)-4-piperidinyl]-9H-xanthene-9-carboxamide C28H32Cl2N2O2 详情 详情
Extended Information