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【结 构 式】 
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【分子编号】29710 【品名】methyl 3-(4-[[4-(aminomethyl)cyclohexyl]carbonyl]phenyl)propanoate 【CA登记号】 |
【 分 子 式 】C18H25NO3 【 分 子 量 】303.40144 【元素组成】C 71.26% H 8.31% N 4.62% O 15.82% |
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：(III)This compound can be obtained by two different ways: 1) The Friedel Crafts' condensation of trans-4-aminomethylcyclohexylcarbonyl chloride (I) with methyl 3-phenylpropionate (II) by means of AlCl3 in refluxing S2C gives methyl 3-[4-trans-4-aminomethylcyclohexylcarbonyl)phenyl]propionate (III), which is then hydrolyzed with hot aqueous concentrated HCl. 2) By isomerization of 3-[4-(cis-4-aminomethylcyclohexylcarbonyl)phenyl]propionic acid (IV) in hot aqueous 3N HCl.
| 【1】 Verloes, R.; Delire, M.; Brichard, V.; Portielje, J.P.; Stoter, G.; Kruit, W.H.J.; van Ojik, H.H.; Drugs Today 1980, 16, 9, 290. |
| 【2】 Takeshita, T.; Hoshina, K.; Ohtsu, A.; Naruchi, T. (Teijin Ltd.); Aminocarboxylic acids, amino alcohols or the derivatives thereof, processes for production thereof and pharmaceutical uses thereof. CA 1176267; EP 0044541; US 4402975 . |
| 【3】 Castaner, J.; Serradell, M.N.; TEI-5103. Drugs Fut 1985, 10, 6, 485. |
| 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) | 29709 | 4-(aminomethyl)cyclohexanecarbonyl chloride | C8H14ClNO | 详情 | 详情 | |
| (II) | 23523 | methyl 3-phenylpropanoate | 103-25-3 | C10H12O2 | 详情 | 详情 |
| (III) | 29710 | methyl 3-(4-[[4-(aminomethyl)cyclohexyl]carbonyl]phenyl)propanoate | C18H25NO3 | 详情 | 详情 | |
| (IV) | 29711 | 3-(4-[[4-(aminomethyl)cyclohexyl]carbonyl]phenyl)propionic acid | C17H23NO3 | 详情 | 详情 |
Extended Information