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【结 构 式】

【分子编号】67252

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

【CA登记号】 

【 分 子 式 】C20H28N4

【 分 子 量 】324.46928

【元素组成】C 74.03% H 8.7% N 17.27%

与该中间体有关的原料药合成路线共 2 条

合成路线1

该中间体在本合成路线中的序号:(V)

 

1 Haycock-Lewandowski SJ, Wilder A, Ahman J. 2008. Development of a bulk enabling route to maraviroc (UK-427, 857), a CCR-5 receptor antagonist. Organic Process Research & Development, 12(6): 1094~1103.
2 Tung R. 2008. Preparation of deuterated triazolyl tropane derivatives as CCR5 receptor inhibitors. WO 2008063600.
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(XI) 67255 (S)-methyl 3-amino-3-phenylpropanoate (2R,3S)-2,3-dihydroxysuccinate   C14H19NO8 详情 详情
(I) 67247 8-benzyl-8-azabicyclo[3.2.1]octan-3-one 28957-72-4 C14H17NO 详情 详情
(II) 67248 8-benzyl-8-azabicyclo[3.2.1]octan-3-one oxime 76272-34-9 C14H18N2O 详情 详情
(III) 67249 8-benzyl-8-azabicyclo[3.2.1]octan-3-amine   C14H20N2 详情 详情
(IV) 67251 N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)isobutyramide 376348-67-3 C18H26N2O 详情 详情
(V) 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
(VI) 10498 Benzaldehyde;Benzoic aldehyde;Phenylmethanal 100-52-7 C7H6O 详情 详情
(VII) 67253 3-(2-isopropyl-5-methyl-1H-pyrrol-1-yl)-8-azabicyclo[3.2.1]octane   C15H24N2 详情 详情
(VIII) 12963 Malonic acid 141-82-2 C3H4O4 详情 详情
(IX) 59224 3-(3-Aminophenyl)propionic acid; beta-Aminohydrocinnamic acid; DL-3-Amino-3-phenylpropionic acid; 3-Amino-3-phenylpropionic acid 614-19-7 C9H11NO2 详情 详情
(X) 67254 methyl 3-amino-3-phenylpropanoate   C10H13NO2 详情 详情
(XII) 67256 (S)-methyl 3-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate   C18H19NO4 详情 详情
(XIII) 67257 (S)-3-(((benzyloxy)carbonyl)amino)-3-phenylpropanoic acid   C17H17NO4 详情 详情
(XIV) 67258 (S)-benzyl (3-hydroxy-1-phenylpropyl)carbamate    C17H19NO3 详情 详情
(XV) 67259 (S)-benzyl (3-oxo-1-phenylpropyl)carbamate   C17H17NO3 详情 详情
(XVI) 67260 benzyl ((1S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)carbamate   C30H39N5O2 详情 详情
(XVII) 67261 (1S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropan-1-amine   C22H33N5 详情 详情
(XVIII) 67262 4,4-difluorocyclohexanecarbonyl chloride   C7H9ClF2O 详情 详情
(XX) 67250 8-benzyl-8-azabicyclo[3.2.1]octan-3-amine   C14H20N2 详情 详情

合成路线2

该中间体在本合成路线中的序号:(I)

 

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 CAS号 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