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【结 构 式】 
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【分子编号】57079 【品名】3,5-Bis(trifluoromethyl)phenylacetic acid 【CA登记号】85068-33-3 |
【 分 子 式 】C10H6F6O2 【 分 子 量 】272.1468592 【元素组成】C 44.13% H 2.22% F 41.89% O 11.76% |
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：(I)Esterification of 3,5-bis(trifluoromethyl)phenylacetic acid (I) by means of methanolic H2SO4 gives methyl ester (II). Aldol condensation of ester (II) with paraformaldehyde in the presence of K2CO3 and tetrabutylammonium iodide leads to the aryl acrylic acid derivative (III), which is further hydrogenated to the arylpropionic analogue (IV) by using Pd/C. Saponification of the methyl ester group of (IV) affords acid (V). This is then activated as the corresponding acid chloride (VI) upon treatment with oxalyl chloride in the presence of a catalytic amount of DMF.
| 【1】 Elliott, J.M.; Castro Pineiro, J.L.; Swain, C.J.; Hollingworth, G.J.; Dinnell, K.; Shaw, D.E. (Merck Sharp & Dohme Ltd.); Cyclohexane derivs. and their use as therapeutic agents. WO 0187838 . |
| 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) | 57079 | 3,5-Bis(trifluoromethyl)phenylacetic acid | 85068-33-3 | C10H6F6O2 | 详情 | 详情 |
| (II) | 57080 | methyl 2-[3,5-bis(trifluoromethyl)phenyl]acetate | C11H8F6O2 | 详情 | 详情 | |
| (III) | 57081 | methyl 2-[3,5-bis(trifluoromethyl)phenyl]acrylate | C12H8F6O2 | 详情 | 详情 | |
| (IV) | 57082 | methyl 2-[3,5-bis(trifluoromethyl)phenyl]propanoate | C12H10F6O2 | 详情 | 详情 | |
| (V) | 57083 | 2-[3,5-bis(trifluoromethyl)phenyl]propanoic acid | C11H8F6O2 | 详情 | 详情 | |
| (VI) | 57084 | 2-[3,5-bis(trifluoromethyl)phenyl]propanoyl chloride | C11H7ClF6O | 详情 | 详情 |
Extended Information