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【结 构 式】 
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【分子编号】56040 【品名】(2S)-2-{[(4-methyl-1-piperazinyl)carbonyl]amino}-3-phenylpropanoic acid 【CA登记号】 |
【 分 子 式 】C15H21N3O3 【 分 子 量 】291.35016 【元素组成】C 61.84% H 7.27% N 14.42% O 16.47% |
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：(VI)Phosphonylation of the lithium anion of phenyl methyl sulfone (I) with diethyl chlorophosphate afforded the sulfonyl phosphonate (II). This was condensed with N-Boc-L-homophenylalaninal (III) under Wadsworth-Emmons conditions to furnish the vinyl sulfone (IV). After acidic Boc group cleavage, the resultant amine (V) was coupled with the N-carbamoyl phenylalanine (VI), via the corresponding mixed anhydride with isobutyl chloroformate, to afford the target amide.
| 【1】 Palmer, J.T.; Rasnick, D.; Klaus, J.L. (Celera Genomics); Irreversible cysteine protease inhibitors containing vinyl groups conjugated to electron withdrawing groups. US 6287840 . |
| 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) | 23622 | methyl phenyl sulfone; methyl(dioxo)phenyl-lambda(6)-sulfane | 3112-85-4 | C7H8O2S | 详情 | 详情 |
| (II) | 23624 | diethyl (phenylsulfonyl)methylphosphonate | C11H17O5PS | 详情 | 详情 | |
| (III) | 23621 | tert-butyl (1S)-1-formyl-3-phenylpropylcarbamate | C15H21NO3 | 详情 | 详情 | |
| (IV) | 23625 | tert-butyl (1S,2E)-1-phenethyl-3-(phenylsulfonyl)-2-propenylcarbamate | C22H27NO4S | 详情 | 详情 | |
| (V) | 23626 | (1S,2E)-1-phenethyl-3-(phenylsulfonyl)-2-propenylamine; (E,3S)-5-phenyl-1-(phenylsulfonyl)-1-penten-3-amine | C17H19NO2S | 详情 | 详情 | |
| (VI) | 56040 | (2S)-2-{[(4-methyl-1-piperazinyl)carbonyl]amino}-3-phenylpropanoic acid | C15H21N3O3 | 详情 | 详情 |
Extended Information