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【结 构 式】

【分子编号】56046

【品名】4-[(4-aminobenzoyl)amino]benzoic acid

【CA登记号】

【 分 子 式 】C14H12N2O3

【 分 子 量 】256.26096

【元素组成】C 65.62% H 4.72% N 10.93% O 18.73%

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)

Coupling between 4-nitrobenzoyl chloride (VI) and 4-aminobenzoic acid (VII) afforded nitrobenzamide (VIII), which was further reduced to amine (IX) by catalytic hydrogenation over Pd/C. Acylation of (IX) with phthalimidoacetyl chloride (X) yielded diamide (XI). The carboxyl group of (XI) was then activated as the corresponding acid chloride (XII) by treatment with SOCl2. Then, condensation of the glycylamide derivative (XIII) with acid chloride (XII) furnished amide (XIV).

1 Rousseaux, O.; Simonot, C. (Guerbet SA); Gadolinium complex tetramides and use in medical imaging. EP 1178975; FR 2793795; WO 0071526 .
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(VI) 18941 p-nitrobenzoyl chloride; 4-nitrobenzoyl chloride 122-04-3 C7H4ClNO3 详情 详情
(VII) 20004 p-aminobenzoic acid; 4-aminobenzoic acid 150-13-0 C7H7NO2 详情 详情
(VIII) 56045 4-[(4-nitrobenzoyl)amino]benzoic acid C14H10N2O5 详情 详情
(IX) 56046 4-[(4-aminobenzoyl)amino]benzoic acid C14H12N2O3 详情 详情
(X) 10278 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl chloride 6780-38-7 C10H6ClNO3 详情 详情
(XI) 56047 4-[(4-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}benzoyl)amino]benzoic acid C24H17N3O6 详情 详情
(XII) 56048 4-[(4-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}benzoyl)amino]benzoyl chloride C24H16ClN3O5 详情 详情
(XIII) 56049 5-[(2-aminoacetyl)amino]-2,4,6-tribromo-N~1~,N~1~,N~3~,N~3~-tetrakis(2,3,4,5,6-pentahydroxyhexyl)isophthalamide C34H57Br3N4O23 详情 详情
(XIV) 56050 2,4,6-tribromo-5-{[2-({4-[(4-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}benzoyl)amino]benzoyl}amino)acetyl]amino}-N~1~,N~1~,N~3~,N~3~-tetrakis(2,3,4,5,6-pentahydroxyhexyl)isophthalamide C58H72Br3N7O28 详情 详情
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