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【结 构 式】

【分子编号】28456

【品名】tert-butyl 2-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]-2-[4-[2-(1-methyl-1-phenylethyl)-2H-1,2,3,4-tetraazol-5-yl]benzyl]-1-hydrazinecarboxylate

【CA登记号】

【 分 子 式 】C32H41N7O3

【 分 子 量 】571.72292

【元素组成】C 67.23% H 7.23% N 17.15% O 8.4%

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:(IX)

Cycloaddition of sodium azide to 4-formylbenzonitrile (I) yielded tetrazole (II), which was protected with 2-phenylpropene (III) in the presence of methanesulfonic acid to give (IV). Subsequent condensation of (IV) with tert-butyl carbazate afforded hydrazone (V), which was further reduced to the benzylhydrazine (VI) employing NaBH3CN and p-toluenesulfonic acid. Opening of the trifluoroacetyl-protected epoxide (VII) with hydrazine (VI) gave hydrazinoalcohol (VIII). After hydrolysis of the trifluoroacetamide group of (VIII) with K2CO3, the resulting amine (IX) was coupled with N-methoxycarbonyl-L-tert-leucine (X) by means of EDC and HOBt to provide amide (XI).

1 Fassler, A.; Bold, G.; Capraro, H.-G.; Lang, M.; Khanna, S.C. (Novartis AG); Antivirally active heterocyclic azahexane derivs.. EP 0900210; JP 1999511177; US 5849911; WO 9740029 .
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) 17552 4-formylbenzonitrile; 4-Cyanobenzaldehyde 105-07-7 C8H5NO 详情 详情
(II) 28449 4-(2H-1,2,3,4-tetraazol-5-yl)benzaldehyde 74815-22-8 C8H6N4O 详情 详情
(III) 28450 1-isopropenylbenzene 98-83-9 C9H10 详情 详情
(IV) 28451 4-[2-(1-methyl-1-phenylethyl)-2H-1,2,3,4-tetraazol-5-yl]benzaldehyde C17H16N4O 详情 详情
(V) 28452 tert-butyl 2-((Z)-[4-[2-(1-methyl-1-phenylethyl)-2H-1,2,3,4-tetraazol-5-yl]phenyl]methylidene)-1-hydrazinecarboxylate C22H26N6O2 详情 详情
(VI) 28453 tert-butyl 2-[4-[2-(1-methyl-1-phenylethyl)-2H-1,2,3,4-tetraazol-5-yl]benzyl]-1-hydrazinecarboxylate C22H28N6O2 详情 详情
(VII) 28454 2,2,2-trifluoro-N-[(1S)-1-[(2R)oxiranyl]-2-phenylethyl]acetamide C12H12F3NO2 详情 详情
(VIII) 28455 tert-butyl 2-[(2S,3S)-2-hydroxy-4-phenyl-3-[(2,2,2-trifluoroacetyl)amino]butyl]-2-[4-[2-(1-methyl-1-phenylethyl)-2H-1,2,3,4-tetraazol-5-yl]benzyl]-1-hydrazinecarboxylate C34H40F3N7O4 详情 详情
(IX) 28456 tert-butyl 2-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]-2-[4-[2-(1-methyl-1-phenylethyl)-2H-1,2,3,4-tetraazol-5-yl]benzyl]-1-hydrazinecarboxylate C32H41N7O3 详情 详情
(X) 23447 (2S)-2-[(methoxycarbonyl)amino]-3,3-dimethylbutyric acid C8H15NO4 详情 详情
(XI) 28457 tert-butyl (5S,6S,9S)-6-benzyl-9-(tert-butyl)-5-hydroxy-3-[4-[2-(1-methyl-1-phenylethyl)-2H-1,2,3,4-tetraazol-5-yl]benzyl]-8,11-dioxo-12-oxa-2,3,7,10-tetraazatridecan-1-oate C40H54N8O6 详情 详情
Extended Information