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【结 构 式】 
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【分子编号】46225 【品名】tert-butyl (1S)-1-benzyl-2-(isopentylamino)-2-oxoethylcarbamate 【CA登记号】 |
【 分 子 式 】C19H30N2O3 【 分 子 量 】334.45888 【元素组成】C 68.23% H 9.04% N 8.38% O 14.35% |
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)Coupling of N-Boc-phenylalanine (I) with amine (II) by means of HBTU and DIEA provides amide (III), whose Boc group is removed by treatment with HCl in dioxane to afford amine hydrochloride (IV). Finally, the target compound is obtained by reductive amination between amine (IV) and aldehyde (V) in MeOH in the presence of NaCNBH3.
| 【1】 Harriman, G.C.B.; Cochran, N.A.; Gallant, D.; Briskin, M.J.; Schwender, C.F.; Cell adhesion antagonists: Synthesis and evaluation of a novel series of phenylalanine based inhibitors. Bioorg Med Chem Lett 2000, 10, 14, 1497. |
| 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) | 12874 | (2R)-2-[(tert-Butoxycarbonyl)amino]-3-phenylpropionic acid; N-alpha-t-BOC-L-Phenylalanine | 13734-34-4 | C14H19NO4 | 详情 | 详情 |
| (II) | 46226 | isopentylamine; 3-methyl-1-butanamine | C5H13N | 详情 | 详情 | |
| (III) | 46225 | tert-butyl (1S)-1-benzyl-2-(isopentylamino)-2-oxoethylcarbamate | C19H30N2O3 | 详情 | 详情 | |
| (IV) | 46227 | (2S)-2-amino-N-isopentyl-3-phenylpropanamide | C14H22N2O | 详情 | 详情 | |
| (V) | 42307 | 2-hydroxy-5-nitrobenzaldehyde；5-nitrosalicylaldehyde | 97-51-8 | C7H5NO4 | 详情 | 详情 |
Extended Information