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【结 构 式】 
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【分子编号】59329 【品名】2-(acetyloxy)-1-({[3-[[2-(acetyloxy)ethyl](2-chloroacetyl)amino]-5-({[2,3-bis(acetyloxy)propyl]amino}carbonyl)-2,4,6-triiodobenzoyl]amino}methyl)ethyl acetate 【CA登记号】 |
【 分 子 式 】C28H33ClI3N3O13 【 分 子 量 】1035.74855 【元素组成】C 32.47% H 3.21% Cl 3.42% I 36.76% N 4.06% O 20.08% |
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)In an alternative procedure, the intermediate amino tetraacetate (I) is acylated by chloroacetyl chloride (II), yielding chloroacetamide (III). The amide N is then alkylated with bromoethyl acetate (IV) to produce (V). Simultaneous hydrolysis of the acetate esters and the chloro group in aqueous sulfuric acid furnishes the title compound.
| 【1】 McCarthy, W.Z.; Kneller, M.T.; Lin, Y.; White, D.H. (Mallinckrodt Medical Inc.); Synthesis of ioversol using chloroacetyl chloride. WO 9301840 . |
| 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) | 59322 | 2-(acetyloxy)-1-({[3-amino-5-({[2,3-bis(acetyloxy)propyl]amino}carbonyl)-2,4,6-triiodobenzoyl]amino}methyl)ethyl acetate | C22H26I3N3O10 | 详情 | 详情 | |
| (II) | 11296 | 2-Chloroacetyl chloride; Chloroacetic chloride | 79-04-9 | C2H2Cl2O | 详情 | 详情 |
| (III) | 59328 | 2-(acetyloxy)-1-[({3-({[2,3-bis(acetyloxy)propyl]amino}carbonyl)-5-[(2-chloroacetyl)amino]-2,4,6-triiodobenzoyl}amino)methyl]ethyl acetate | C24H27ClI3N3O11 | 详情 | 详情 | |
| (IV) | 33463 | 2-bromoethyl acetate | 927-68-4 | C4H7BrO2 | 详情 | 详情 |
| (V) | 59329 | 2-(acetyloxy)-1-({[3-[[2-(acetyloxy)ethyl](2-chloroacetyl)amino]-5-({[2,3-bis(acetyloxy)propyl]amino}carbonyl)-2,4,6-triiodobenzoyl]amino}methyl)ethyl acetate | C28H33ClI3N3O13 | 详情 | 详情 |
Extended Information