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【结 构 式】

【分子编号】44235

【品名】(1-methyl-1H-pyrazol-5-yl)(2-thienyl)methanol

【CA登记号】

【 分 子 式 】C9H10N2OS

【 分 子 量 】194.25728

【元素组成】C 55.65% H 5.19% N 14.42% O 8.24% S 16.51%

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)

Lithiation of N-methylpyrazole (I) by means of n-butyllithium, followed by addition to 2-thiophenecarboxaldehyde (II), afforded carbinol (III). This compound was alternatively obtained by sodium borohydride reduction of diheteroaryl ketone (IV). Condensation of alcohol (III) with either 2-(dimethylamino)ethyl chloride (IV) in the presence of NaOH or 2-(dimethylamino)ethanol (VI) under catalysis of H2SO4 furnished ether (VII). This compound was finally converted to the title citrate salt by treatment with citric acid in EtOH.

1 Frigola-Constansa, J.; Andaluz-Mataro, B.; Merce-Vidal, R. (Laboratorios del Dr. Esteve, SA); Thienylazolylalcoxyethanamines, their preparation and their application as medicaments. WO 9952525 .
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) 44234 1-methyl-1H-pyrazole; N-Methylpyrazole 930-36-9 C4H6N2 详情 详情
(II) 30732 2-thiophenecarbaldehyde; Thiophene-2-carboxaldehyde 98-03-3 C5H4OS 详情 详情
(III) 44235 (1-methyl-1H-pyrazol-5-yl)(2-thienyl)methanol C9H10N2OS 详情 详情
(IV) 44236 (1-methyl-1H-pyrazol-5-yl)(2-thienyl)methanone C9H8N2OS 详情 详情
(V) 11907 Dimethylaminoethyl chloride; 2-Dimethylaminoethyl chloride; 2-Chloro-N,N-dimethyl-1-ethanamine; N-(2-Chloroethyl)-N,N-dimethylamine 107-99-3 C4H10ClN 详情 详情
(VI) 44237 2-(dimethylamino)-1-ethanol 108-01-0 C4H11NO 详情 详情
(VII) 44238 N,N-dimethyl-2-[(1-methyl-1H-pyrazol-5-yl)(2-thienyl)methoxy]-1-ethanamine; N,N-dimethyl-N-[2-[(1-methyl-1H-pyrazol-5-yl)(2-thienyl)methoxy]ethyl]amine C13H19N3OS 详情 详情
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