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【结 构 式】 
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【分子编号】27000 【品名】ethyl 3-[3-[2-[(tert-butoxycarbonyl)amino]ethyl]-5-(4-fluorobenzyl)phenyl]propanoate 【CA登记号】 |
【 分 子 式 】C25H32FNO4 【 分 子 量 】429.5318232 【元素组成】C 69.91% H 7.51% F 4.42% N 3.26% O 14.9% |
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：(XIII)The reaction of monoacid (VIII) with diphenylphosphoryl azide and triethylamine in refluxing tert-butanol gives the tert-butoxycarbonyl aminoester (XIII), which is deprotected with trifluoroacetic acid to yield the aminoester (XIV). The sulfonation of (XIV) with 4-chlorophenylsulfonyl chloride (XII) and triethylamine in dichloromethane affords the sulfonamido ester (XV), which is finally hydrolyzed with NaOH in refluxing methanol.
| 【1】 Dickinson, R.P.; Dack, K.N.; Steele, J. (Pfizer Inc.); Benzenealkanoic acids for cardiovascular diseases. EP 0662950; JP 1996502046; US 5618941; WO 9406761 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (VIII) | 26996 | 3-[3-(3-ethoxy-3-oxopropyl)-5-(4-fluorobenzyl)phenyl]propionic acid | C21H23FO4 | 详情 | 详情 | |
| (XII) | 15787 | 4-chlorobenzenesulfonyl chloride;4-chlorobenzene-1-sulfonyl chloride | 98-60-2 | C6H4Cl2O2S | 详情 | 详情 |
| (XIII) | 27000 | ethyl 3-[3-[2-[(tert-butoxycarbonyl)amino]ethyl]-5-(4-fluorobenzyl)phenyl]propanoate | C25H32FNO4 | 详情 | 详情 | |
| (XIV) | 27001 | ethyl 3-[3-(2-aminoethyl)-5-(4-fluorobenzyl)phenyl]propanoate | C20H24FNO2 | 详情 | 详情 | |
| (XV) | 27002 | ethyl 3-[3-(2-[[(4-chlorophenyl)sulfonyl]amino]ethyl)-5-(4-fluorobenzyl)phenyl]propanoate | C26H27ClFNO4S | 详情 | 详情 |
Extended Information