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【结 构 式】

【分子编号】65110

【品名】methyl 3-(4-aminophenyl)butanoate

【CA登记号】

【 分 子 式 】C11H15NO2

【 分 子 量 】193.24564

【元素组成】C 68.37% H 7.82% N 7.25% O 16.56%

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:(II)

Reduction of methyl 3-(4-nitrophenyl)butyrate (I) with H2 in the presence of Pd/C produces aniline (II). This is then coupled with [N'-(2-methylphenyl)ureido]phenylacetic acid (III) by means of HATU, yielding amide (IV). Finally, ester group hydrolysis in (IV) with LiOH gives rise to the title carboxylic acid.

1 Singh, J.; van Vlijmen, H.; Liao, Y.; Lee, W.-C.; Cornebise, M.; Harris, M.; Shu, I.-h.; Gill, A.; Cuervo, J.H.; Abraham, W.M.; Adams, S.P.; Identification of potent and novel alpha4beta1 antagonists using in silico screening. J Med Chem 2002, 45, 14, 2988.
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) 65109 methyl 3-(4-nitrophenyl)butanoate C11H13NO4 详情 详情
(II) 65110 methyl 3-(4-aminophenyl)butanoate C11H15NO2 详情 详情
(III) 27107 2-[4-[(2-toluidinocarbonyl)amino]phenyl]acetic acid C16H16N2O3 详情 详情
(IV) 65111 methyl 3-{4-[(2-{4-[(2-toluidinocarbonyl)amino]phenyl}acetyl)amino]phenyl}butanoate C27H29N3O4 详情 详情
Extended Information