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【结 构 式】 
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【分子编号】63702 【品名】1,1-dimethylethyl 4-([(3-chloro-1-benzothiophen-2-yl)carbonyl]{[4'-cyano-6-(methyloxy)[1,1'-biphenyl]-3-yl]methyl}amino)cyclohexyl(methyl)carbamate 【CA登记号】 |
【 分 子 式 】C36H38ClN3O4S 【 分 子 量 】644.23424 【元素组成】C 67.12% H 5.95% Cl 5.5% N 6.52% O 9.93% S 4.98% |
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：(XI)Suzuki coupling between 2-methoxy-5-formylphenylboronic acid (VI) and 4-bromobenzonitrile (VII) affords the biphenyl aldehyde (VIII). This is then reductively condensed with amine (V) in the presence of NaBH(OAc)3 to furnish (IX). Acylation of amine (IX) with 3-chlorobenzo[b]thiophene-2-carbonyl chloride (X) leads to amide (XI). The N-Boc protecting group of (XI) is finally removed with ethanolic HCl to provide the title compound. (1,2)
| 【1】 Baxter, A.D.; Boyd, E.A.; Price, S.; Guicherit, O.M.; Porter, J.; Rubin, L.E. (Curis, Inc.); Small organic molecule regulators of cell proliferation. US 6613798; US 6683108; WO 0174344 . |
| 【2】 Baxter, A.D.; Boyd, E.A.; Price, S.; Guicherit, O.M.; Porter, J.; Rubin, L.; Stibbard, J.H.A. (Curis, Inc.); Small organic molecule regulators of cell proliferation. US 2002198236; WO 0327234 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (V) | 63697 | 1,1-dimethylethyl 4-aminocyclohexyl(methyl)carbamate | C12H24N2O2 | 详情 | 详情 | |
| (VI) | 63698 | 5-formyl-2-(methyloxy)phenylboronic acid | C8H9BO4 | 详情 | 详情 | |
| (VII) | 45833 | 4-Bromobenzonitrile | 623-00-7 | C7H4BrN | 详情 | 详情 |
| (VIII) | 63699 | 3'-formyl-6'-(methyloxy)[1,1'-biphenyl]-4-carbonitrile | C15H11NO2 | 详情 | 详情 | |
| (IX) | 63700 | C27H35N3O3 | 详情 | 详情 | ||
| (X) | 63701 | 3-chloro-1-benzothiophene-2-carbonyl chloride | C9H4Cl2OS | 详情 | 详情 | |
| (XI) | 63702 | 1,1-dimethylethyl 4-([(3-chloro-1-benzothiophen-2-yl)carbonyl]{[4'-cyano-6-(methyloxy)[1,1'-biphenyl]-3-yl]methyl}amino)cyclohexyl(methyl)carbamate | C36H38ClN3O4S | 详情 | 详情 |
Extended Information