3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane 4-methylbenzenesulfonate -Drug Synthesis Database

【结构式】

【分子编号】67263

【品名】3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane 4-methylbenzenesulfonate

【CA登记号】　

【分子式】C₇H₈O₃S.C₁₃H₂₂N₄

【分子量】406.549

【元素组成】C 59.09% H 7.44% N 13.78% O 11.81% S 7.89%

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： (II)

【1】 Ahman J, Birch M, Haycock-Lewandowski, et al. 2008. Process research and scale-up of a commercializable route to maraviroc(UK-427, 857), a CCR-5 receptor antagonist. Organic Process Research & Development, 12(6): 1104～1113.

中间体序号	中间体编号	品名	分子式	供应商	用于合成
(II)	67263	3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane 4-methylbenzenesulfonate	C₇H₈O₃S.C₁₃H₂₂N₄	详情	详情
(IV)	67262	4,4-difluorocyclohexanecarbonyl chloride	C₇H₉ClF₂O	详情	详情
(V)	67264	methyl 3-(4,4-difluorocyclohexanecarboxamido)-3-phenylpropanoate	C₁₇H₂₁F₂NO₃	详情	详情
(I)	67252	8-benzyl-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane	C₂₀H₂₈N₄	详情	详情
(III)	67254	methyl 3-amino-3-phenylpropanoate	C₁₀H₁₃NO₂	详情	详情
(VI)	67265	4,4-difluoro-N-(3-hydroxy-1-phenylpropyl)cyclohexanecarboxamide	C₁₆H₂₁F₂NO₂	详情	详情
(VII)	67266	4,4-difluoro-N-(3-oxo-1-phenylpropyl)cyclohexanecarboxamide	C₁₆H₁₉F₂NO₂	详情	详情

Extended Information