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【结 构 式】 
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【分子编号】59332 【品名】2-[(3-{[2-(acetyloxy)acetyl][2-(acetyloxy)ethyl]amino}-5-{[(2,3-bis{[2-(acetyloxy)acetyl]oxy}propyl)amino]carbonyl}-2,4,6-triiodobenzoyl)amino]-1-({[2-(acetyloxy)acetyl]oxy}methyl)ethyl 2-(acetyloxy)acetate 【CA登记号】 |
【 分 子 式 】C38H44I3N3O23 【 分 子 量 】1291.48719 【元素组成】C 35.34% H 3.43% I 29.48% N 3.25% O 28.49% |
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：(V)A further synthetic variation for the title compound is based on the acylation of intermediate (I) with acetoxyacetyl chloride (II) to afford (III). Amide alkylation with bromoethyl acetate (IV) furnishes (V). The ester groups of (V) are finally hydrolyzed in aqueous sulfuric acid.
| 【1】 Lin, Y.; Wallace, R.A.; McCarthy, W.Z.; Kneller, M.T.; White, D.H. (Mallinckrodt Medical Inc.); Synthesis of ioversol using a minimal excessof acetoxyacetylchloride. US 5371278 . |
| 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) | 59316 | 5-amino-N~1~,N~3~-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide | C14H18I3N3O6 | 详情 | 详情 | |
| (II) | 10456 | Acetoxiacetil chloride; 2-chloro-2-oxoethyl acetate | 13831-31-7 | C4H5ClO3 | 详情 | 详情 |
| (III) | 59331 | 2-[(3-{[2-(acetyloxy)acetyl]amino}-5-{[(2,3-bis{[2-(acetyloxy)acetyl]oxy}propyl)amino]carbonyl}-2,4,6-triiodobenzoyl)amino]-1-({[2-(acetyloxy)acetyl]oxy}methyl)ethyl 2-(acetyloxy)acetate | C34H38I3N3O21 | 详情 | 详情 | |
| (IV) | 33463 | 2-bromoethyl acetate | 927-68-4 | C4H7BrO2 | 详情 | 详情 |
| (V) | 59332 | 2-[(3-{[2-(acetyloxy)acetyl][2-(acetyloxy)ethyl]amino}-5-{[(2,3-bis{[2-(acetyloxy)acetyl]oxy}propyl)amino]carbonyl}-2,4,6-triiodobenzoyl)amino]-1-({[2-(acetyloxy)acetyl]oxy}methyl)ethyl 2-(acetyloxy)acetate | C38H44I3N3O23 | 详情 | 详情 |
Extended Information