【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