【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