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【结 构 式】 
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【分子编号】12980 【品名】2-(acetyl-3-([[2-(acetoxy)ethyl]amino]carbonyl)-5-[[(2,3-dihydroxypropyl)amino]carbonyl]-2,4,6-triiodoanilino)-1-[(acetoxy)methyl]ethyl acetate 【CA登记号】 |
【 分 子 式 】C24H30I3N3O11 【 分 子 量 】917.22923 【元素组成】C 31.43% H 3.3% I 41.51% N 4.58% O 19.19% |
合成路线1
该中间体在本合成路线中的序号：(VII)The reaction of 5-acetamido-N-(2-hydroxyethyl)isophthalamic acid (I) with 3-chloropropane-1,2-diol (II) and NaOH gives 5-[N-(2,3-dihydroxypropyl)acetamido]-N-(2-hydroxyethyl)-2,4,6-triiodoisophthalamic acid (III), which is acetylated with hot acetic anhydride to the corresponding triacetate (IV). The reaction of (IV) with hot SOCl2 affords the corresponding acyl chloride (V), which is condensed with 2,3-dihydroxypropylamine (VI) by means of triethylamine in dimethylacetamide to give the diamide (VII). Finally, this compound is deacetylated with NaOH in methanol/water.
| 【1】 Prous, J.; Mealy, M.; Castaner, J.; Ioxilan. Drugs Fut 1995, 20, 1, 16. |
| 【2】 Sovak, M.; Ranganathan, R. (Cook Imaging Corp.); Non-ionic polyol contrast media from ionic contrast media. WO 8700757 . |
| 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) | 12974 | 3-(Acetamido)-5-[[(2-hydroxyethyl)amino]carbonyl]-2,4,6-triiodobenzoic acid | C12H11I3N2O5 | 详情 | 详情 | |
| (II) | 12975 | 3-Chloro-1,2-propanediol; Glycerol alpha-monochlorohydrin | 96-24-2 | C3H7ClO2 | 详情 | 详情 |
| (III) | 12976 | 3-[Acetyl(2,3-dihydroxypropyl)amino]-5-[[(2-hydroxyethyl)amino]carbonyl]-2,4,6-triiodobenzoic acid | C15H17I3N2O7 | 详情 | 详情 | |
| (IV) | 12977 | 3-[Acetyl[2,3-bis(acetoxy)propyl]amino]-5-([[2-(acetoxy)ethyl]amino]carbonyl)-2,4,6-triiodobenzoic acid | C21H23I3N2O10 | 详情 | 详情 | |
| (V) | 12978 | 2-[acetyl-3-([[2-(acetoxy)ethyl]amino]carbonyl)-5-(chlorocarbonyl)-2,4,6-triiodoanilino]-1-[(acetoxy)methyl]ethyl acetate | C21H22ClI3N2O9 | 详情 | 详情 | |
| (VI) | 12979 | 3-Amino-1,2-propanediol；3-aminopropane-1,2-diol | 616-30-8 | C3H9NO2 | 详情 | 详情 |
| (VII) | 12980 | 2-(acetyl-3-([[2-(acetoxy)ethyl]amino]carbonyl)-5-[[(2,3-dihydroxypropyl)amino]carbonyl]-2,4,6-triiodoanilino)-1-[(acetoxy)methyl]ethyl acetate | C24H30I3N3O11 | 详情 | 详情 |