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【结 构 式】

【分子编号】30253

【品名】tert-butyl (3S)-3-[(tert-butylamino)carbonyl]-4-((2R,3S)-2-hydroxy-3-[[(2S)-2-([[(2-isopropyl-1,3-thiazol-4-yl)methoxy]carbonyl]amino)-3-methylbutanoyl]amino]-4-phenylbutyl)-1-piperazinecarboxylate

【CA登记号】

【 分 子 式 】C37H58N6O7S

【 分 子 量 】730.96976

【元素组成】C 60.8% H 8% N 11.5% O 15.32% S 4.39%

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)

Intermediate (III) was prepared by condensation of epoxide (I) with piperazine (II). After removal of the carbobenzoxy protecting group of (III) by catalytic hydrogenation, the resulting amine (IV) was coupled to the valine derivative (V) using EDC to afford amide (VI). Subsequent cleavage of the Boc protecting group of (VI) under acidic conditions gave (VII), which was finally alkylated with the benzodioxolylmethyl halide (VIII) to provide the target compound.

1 Chen, X.; Kempf, D.J.; Sham, H.L.; Green, B.E.; Molla, A.; Korneyeva, M.; Vasavanonda, S.; Wideburg, N.E.; Saldivar, A.; Marsh, K.C.; McDonald, E.; Norbeck, D.W.; Potent piperazine hydroxyethylamine HIV protease inhibitors containing novel P3 ligands. Bioorg Med Chem Lett 1998, 8, 24, 3531.
2 Chen, X.; Mohammadi, F.; Norbeck, D.W.; Kempf, D.J. (Abbott Laboratories Inc.); Retroviral protease inhibiting cpds.. WO 9959994 .
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) 14522 benzyl N-[(1S)-1-[(2S)oxiranyl]-2-phenylethyl]carbamate C18H19NO3 详情 详情
(II) 16422 methyl (1R,4S)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate C8H11NO2 详情 详情
(III) 30251 tert-butyl (3S)-4-((2R,3S)-3-[[(benzyloxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl)-3-[(tert-butylamino)carbonyl]-1-piperazinecarboxylate C32H46N4O6 详情 详情
(IV) 30252 tert-butyl (3S)-4-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-3-[(tert-butylamino)carbonyl]-1-piperazinecarboxylate C24H40N4O4 详情 详情
(V) 30255 (2S)-2-([[(2-isopropyl-1,3-thiazol-4-yl)methoxy]carbonyl]amino)-3-methylbutyric acid C13H20N2O4S 详情 详情
(VI) 30253 tert-butyl (3S)-3-[(tert-butylamino)carbonyl]-4-((2R,3S)-2-hydroxy-3-[[(2S)-2-([[(2-isopropyl-1,3-thiazol-4-yl)methoxy]carbonyl]amino)-3-methylbutanoyl]amino]-4-phenylbutyl)-1-piperazinecarboxylate C37H58N6O7S 详情 详情
(VII) 30254 (2-isopropyl-1,3-thiazol-4-yl)methyl (1S)-1-[[((1S,2R)-1-benzyl-3-[(2S)-2-[(tert-butylamino)carbonyl]piperazinyl]-2-hydroxypropyl)amino]carbonyl]-2-methylpropylcarbamate C32H50N6O5S 详情 详情
(VIII) 28617 5-(chloromethyl)-1,3-benzodioxole C8H7ClO2 详情 详情
Extended Information