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【结 构 式】

【分子编号】48034

【品名】(2S)-2-[([5-benzyl-3-[(1S)-2-methyl-1-(1-naphthoylamino)propyl]-4,5-dihydro-5-isoxazolyl]carbonyl)amino]-4-(tert-butoxy)-4-oxobutyric acid

【CA登记号】

【 分 子 式 】C34H39N3O7

【 分 子 量 】601.69968

【元素组成】C 67.87% H 6.53% N 6.98% O 18.61%

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:(XV)

The methyl ester group of (XIV) was then hydrolyzed with NaOH, and the resulting carboxylic acid (XV) was activated as the mixed anhydride (XVI) with isobutyl chloroformate. Addition of diazomethane to anhydride (XVI) followed by treatment of the intermediate diazo ketone with HBr gave the bromo ketone (XVII). The bromide group of (XVII) was then displaced with 2,6-dichlorobenzoic acid (XVIII) to produce the dichlorobenzoate ester (XIX). The tert-butyl ester group of (XIX) was finally cleaved by treatment with trifluoroacetic acid.

1 Chung, H.-H.; Park, M.-J.; Min, C.-H.; Kang, C.-Y.; Park, T.-K.; Chang, H.-K.; Lee, T.-H.; Moon, K.-Y.; Kim, E.E.-K.; Oh, Y.-L.; Kim, Y.-M. (LG Chem Ltd.); Caspase inhibitor. WO 0121599; WO 0121600 .
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(XIV) 48033 4-(tert-butyl) 1-methyl (2S)-2-[([5-benzyl-3-[(1S)-2-methyl-1-(1-naphthoylamino)propyl]-4,5-dihydro-5-isoxazolyl]carbonyl)amino]butanedioate C35H41N3O7 详情 详情
(XV) 48034 (2S)-2-[([5-benzyl-3-[(1S)-2-methyl-1-(1-naphthoylamino)propyl]-4,5-dihydro-5-isoxazolyl]carbonyl)amino]-4-(tert-butoxy)-4-oxobutyric acid C34H39N3O7 详情 详情
(XVI) 48035   C39H47N3O9 详情 详情
(XVII) 48036 tert-butyl (3S)-3-[([5-benzyl-3-[(1S)-2-methyl-1-(1-naphthoylamino)propyl]-4,5-dihydro-5-isoxazolyl]carbonyl)amino]-5-bromo-4-oxopentanoate C35H40BrN3O6 详情 详情
(XVIII) 41964 2,6-dichlorobenzoic acid 50-30-6 C7H4Cl2O2 详情 详情
(XIX) 48037 (3S)-3-[([5-benzyl-3-[(1S)-2-methyl-1-(1-naphthoylamino)propyl]-4,5-dihydro-5-isoxazolyl]carbonyl)amino]-5-(tert-butoxy)-2,5-dioxopentyl 2,6-dichlorobenzoate C42H43Cl2N3O8 详情 详情
Extended Information