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【结 构 式】

【分子编号】63701

【品名】3-chloro-1-benzothiophene-2-carbonyl chloride

【CA登记号】

【 分 子 式 】C9H4Cl2OS

【 分 子 量 】231.10156

【元素组成】C 46.78% H 1.74% Cl 30.68% O 6.92% S 13.88%

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:(X)

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
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