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【结 构 式】

【分子编号】49765

【品名】(2R)-3-(2-aminoanilino)-2-[(tert-butoxycarbonyl)amino]propionic acid

【CA登记号】

【 分 子 式 】C14H21N3O4

【 分 子 量 】295.33856

【元素组成】C 56.94% H 7.17% N 14.23% O 21.67%

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)

The condensation of the mono-protected 2,3-diaminopropionic acid (I) with 2-fluoronitrobenzene (II) produced the nitro acid (III). After catalytic hydrogenation of the nitro group of (III), the resulting amino acid (IV) was cyclized to the benzodiazepinone (V) upon refluxing in toluene. Alkylation of (V) with cyclohexenyl bromide (VI) afforded the 5-cyclohexenyl benzodiazepinone (VII), which was further hydrogenated to the cyclohexyl derivative (VIII). Acid cleavage of the Boc protecting group of (VIII) furnished the aminobenzodiazepinone (IX).

1 Murata, M.; Shinozaki, K.; Yoneta, T.; Miura, N.; Maeda, K. (Zeria Pharmaceutical Co., Ltd.); 1,5-Benzodiazepine derivs.. EP 0945445; US 6239131; WO 9825911 .
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) 49763 Boc-D-diaminopropionic acid C8H16N2O4 详情 详情
(II) 13463 o-Fluoronitrobenzene; 1-fluoro-2-nitrobenzene 1493-27-2 C6H4FNO2 详情 详情
(III) 49764 (2R)-2-[(tert-butoxycarbonyl)amino]-3-(2-nitroanilino)propionic acid C14H19N3O6 详情 详情
(IV) 49765 (2R)-3-(2-aminoanilino)-2-[(tert-butoxycarbonyl)amino]propionic acid C14H21N3O4 详情 详情
(V) 49766 tert-butyl (3R)-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-ylcarbamate C14H19N3O3 详情 详情
(VI) 30800 3-bromo-1-cyclohexene 1521-51-3 C6H9Br 详情 详情
(VII) 49767 tert-butyl (3R)-1-(2-cyclohexen-1-yl)-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-ylcarbamate C20H27N3O3 详情 详情
(VIII) 49768 tert-butyl (3R)-1-cyclohexyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-ylcarbamate C20H29N3O3 详情 详情
(IX) 49769 (3R)-3-amino-5-cyclohexyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one C15H21N3O 详情 详情
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