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【结 构 式】 
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【分子编号】61032 【品名】benzyl (1S)-1-({[2-(4-methoxyanilino)ethyl]amino}carbonyl)-3-methylbutylcarbamate 【CA登记号】 |
【 分 子 式 】C23H31N3O4 【 分 子 量 】413.51696 【元素组成】C 66.81% H 7.56% N 10.16% O 15.48% |
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：(V)Condensation of p-anisidine (I) with 2-oxazolidinone (II) in hot 2-(2-methoxyethoxy)ethanol affords the N-aryl ethanediamine (III). This is then coupled with the succinimidyl ester of N-Z-L-leucine (IV) to furnish amide (V). The N-carbobenzoxy group of (V) is further removed by catalytic hydrogenation, providing amine (VI), which is finally acylated by 4-(benzyloxy)benzoic acid (VII) by means of HATU to yield the title compound.
| 【1】 Altmann, E.; Renaud, J.; Green, J.; Farley, D.; Cutting, B.; Jahnke, W.; Arylaminoethyl amides as novel non-covalent cathepsin K inhibitors. J Med Chem 2002, 45, 12, 2352. |
| 【2】 Missbach, M.; Altmann, E.; Lattmann, R.; Renaud, J. (Novartis AG); Arylaminoalkylamides. WO 0048993 . |
| 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) | 10478 | p-Anisidine; 4-Methoxyaniline; 4-Methoxyphenylamine | 104-94-9 | C7H9NO | 详情 | 详情 |
| (II) | 21456 | 1,3-oxazolidin-2-one | 497-25-6 | C3H5NO2 | 详情 | 详情 |
| (III) | 61030 | N-(2-aminoethyl)-N-(4-methoxyphenyl)amine; N~1~-(4-methoxyphenyl)-1,2-ethanediamine | C9H14N2O | 详情 | 详情 | |
| (IV) | 61031 | benzyl (1S)-1-{[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl}-3-methylbutylcarbamate | C18H22N2O6 | 详情 | 详情 | |
| (V) | 61032 | benzyl (1S)-1-({[2-(4-methoxyanilino)ethyl]amino}carbonyl)-3-methylbutylcarbamate | C23H31N3O4 | 详情 | 详情 | |
| (VI) | 61033 | (2S)-2-amino-N-[2-(4-methoxyanilino)ethyl]-4-methylpentanamide | C15H25N3O2 | 详情 | 详情 | |
| (VII) | 61034 | 4-(benzyloxy)benzoic acid | C14H12O3 | 详情 | 详情 |
Extended Information