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【结 构 式】

【分子编号】57500

【品名】1-(1-benzothiophen-3-yl)-3-[4-(2-methoxyphenyl)-1-piperazinyl]-1-propanone

【CA登记号】

【 分 子 式 】C22H24N2O2S

【 分 子 量 】380.51084

【元素组成】C 69.44% H 6.36% N 7.36% O 8.41% S 8.43%

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:(III)

Mannich reaction of N-(2-methoxyphenyl)piperazine (I) with 3-acetylbenzothiophene (II) in the presence of paraformaldehyde and HCl in refluxing EtOH leads to the piperazinyl propanone (III). Subsequent keto group reduction with NaBH4 gives the target alcohol.

2 Bosch Rovira, A.; Roca Acin, J.; Monge Vega, A.; Del Rio Zambrana, J.; Palop Cubillo, J.A.; Lasheras Aldaz, B.; Del Castillo Nieto, J.C. (Laboratorios Vita, SA); Cpds. derived from thiophene and benzothiophene, and related utilisation and compsn.. EP 1008594; ES 2128266; JP 2002511883; US 6262056; WO 9902516 .
1 Oficialdegui, A.-M.; Martínez-Esparza, J.; Pérez-Sailanes, S.; et al.; New 1-aryl-3-(4-arylpiperazin-1-yl)propane derivatives, with dual action at 5-HT1A serotonin receptors and serotonin transporter, as a new class of antidepressants. J Med Chem 2001, 44, 3, 418.
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(I) 11820 Suberic acid; Cork acid; Octanedioic acid 505-48-6 C8H14O4 详情 详情
(II) 57499 3-Acetylbenzo[b]thiophene; 3-Acetylthianaphthene 26168-40-1 C10H8OS 详情 详情
(III) 57500 1-(1-benzothiophen-3-yl)-3-[4-(2-methoxyphenyl)-1-piperazinyl]-1-propanone C22H24N2O2S 详情 详情
Extended Information