|
【结 构 式】 
|
【分子编号】31196 【品名】2-[3,5-bis(chlorocarbonyl)-2,4,6-triiodomethylanilino]-2-oxoethyl acetate 【CA登记号】 |
【 分 子 式 】C13H8Cl2I3NO5 【 分 子 量 】709.82907 【元素组成】C 22% H 1.14% Cl 9.99% I 53.63% N 1.97% O 11.27% |
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)Treatment of 5-amino-2,4,6-triiodo-1,3-benzenedicarboxylic acid (I) with thionyl chloride yields the dichloride (II). Compound (II) is treated with acetoxyacetyl chloride to give compound (III), which is methylated with iodomethane. Condensation with 3-amino-1,2-propanediol of the N-methyl derivative (IV) thus obtained, followed by deacetylation with alkali metal hydroxide, yields iomeprol.
| 【1】 Felder, E.; Musu, C.; Fumagalli, L.; Uggeri, F. (Bracco SpA); Preparation of 5-acylamino-2,4,6-triiodo- or tribromo-benzoic acid derivs.. WO 8809328 . |
| 【2】 Davies, A.; Felder, E.; Tirone, P.; IOMEPROL < Rec INN; BAN; USAN >. Drugs Fut 1990, 15, 11, 1074. |
| 【3】 Musu, C.; Felder, E.; Fumagalli, L.; Piva, R.; Uggeri, F.; Smiles rearrangement, a new synthetic pathway to the synthesis of 5-(hydroxyacyl)-amino-2,4,6-triiodoisophthalamides. Invest Radiol 1990, 25, Suppl. 1, S100-1. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (B) | 12979 | 3-Amino-1,2-propanediol；3-aminopropane-1,2-diol | 616-30-8 | C3H9NO2 | 详情 | 详情 |
| (A) | 16601 | ethyl chloroacetate; ethyl 2-chloroacetate | 105-39-5 | C4H7ClO2 | 详情 | 详情 |
| (I) | 22006 | 5-amino-2,4,6-triiodoisophthalic acid | 35453-19-1 | C8H4I3NO4 | 详情 | 详情 |
| (II) | 31194 | 5-amino-2,4,6-triiodoisophthaloyl dichloride | 37441-29-5 | C8H2Cl2I3NO2 | 详情 | 详情 |
| (III) | 31195 | 2-[3,5-bis(chlorocarbonyl)-2,4,6-triiodoanilino]-2-oxoethyl acetate | C12H6Cl2I3NO5 | 详情 | 详情 | |
| (IV) | 31196 | 2-[3,5-bis(chlorocarbonyl)-2,4,6-triiodomethylanilino]-2-oxoethyl acetate | C13H8Cl2I3NO5 | 详情 | 详情 |
Extended Information