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【结 构 式】

【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