2-(4-chlorophenyl)-1-(4-morpholinyl)-1-ethanethione -Drug Synthesis Database

【结构式】

【分子编号】32942

【品名】2-(4-chlorophenyl)-1-(4-morpholinyl)-1-ethanethione

【CA登记号】

【分子式】C₁₂H₁₄ClNOS

【分子量】255.768

【元素组成】C 56.35% H 5.52% Cl 13.86% N 5.48% O 6.26% S 12.54%

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)

(4-Chlorophenyl)thioacetic acid morpholide (II) was prepared by Willgerodt-Kindler reaction of 4'-chloroacetophenone (I) with sulfur and morpholine. Subsequent condensation of (II) with triethyl orthoformate and morpholine provided the 3-(4-morpholinyl)thioacrylic acid morpholide (IIIa-b). Finally, ring closure of (IIIa-b) with hydrazine hydrochloride in refluxing EtOH furnished the title pyrazole.

参考文献中间体

合成目标

【1】 Unverferth, K.; et al.; Synthesis, anticonvulsant activity, and structure-activity relationships of sodium channel blocking 3-aminopyrroles. J Med Chem 1998, 41, 1, 63.

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(IIIa)	32943	(E)-2-(4-chlorophenyl)-1,3-di(4-morpholinyl)-2-propene-1-thione		C₁₇H₂₁ClN₂O₂S	详情	详情
(IIIb)	32944	(Z)-2-(4-chlorophenyl)-1,3-di(4-morpholinyl)-2-propene-1-thione		C₁₇H₂₁ClN₂O₂S	详情	详情
(I)	12685	4-Chloroacetophenone; 1-(4-Chlorophenyl)-1-ethanone; p-Chloroacetophenone	99-91-2	C₈H₇ClO	详情	详情
(II)	32942	2-(4-chlorophenyl)-1-(4-morpholinyl)-1-ethanethione		C₁₂H₁₄ClNOS	详情	详情

Extended Information