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【结 构 式】

【分子编号】27479

【品名】1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-ethanone

【CA登记号】

【 分 子 式 】C12H12Cl2O

【 分 子 量 】243.13208

【元素组成】C 59.28% H 4.97% Cl 29.16% O 6.58%

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:(II)

Addition of methylmagnesium iodide to nitrile (I), followed by hydrolytic treatment, provided ketone (II), which was brominated in CHCl3-MeOH to give bromomethyl ketone (III). Alkylation of thiourea (V) with 3-(dimethylamino)propyl chloride (IV) produced S-alkyl isothiourea (VI). After hydrolysis of (VI) with NaOEt, the intermediate thiol (VII) was condensed with bromoketone (III) to yield the required thioether, which was finally converted to the citrate salt.

1 Harris, P.J.; Heal, D.J. (The Boots Company plc); 1-Arylcycloalkyl sulphides, sulphoxides and sulphones for the treatment of depression, anxiety and Parkinson's disease. EP 0715620; JP 1996510222; US 5652271; WO 9426704 .
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) 27478 1-(3,4-dichlorophenyl)cyclobutanecarbonitrile C11H9Cl2N 详情 详情
(II) 27479 1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-ethanone C12H12Cl2O 详情 详情
(III) 27480 2-bromo-1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-ethanone C12H11BrCl2O 详情 详情
(IV) 24581 3-(Dimethylamino)propyl chloride; 3-Chloro-N,N-dimethyl-1-propanamine 5407-04-5 C5H12ClN 详情 详情
(V) 10180 Thiourea 62-56-6 CH4N2S 详情 详情
(VI) 27481 1-[[amino(imino)methyl]sulfanyl]-3-(dimethylamino)propane C6H15N3S 详情 详情
(VII) 27482 N,N-Dimethyl-N-(3-sulfanylpropyl)amine sodium salt C5H12NNaS 详情 详情
Extended Information