4-Chloro-N-(6,11-dihydrodibenzo[b,e]thiepin-11-yl)butanamide -Drug Synthesis Database

【结构式】

【分子编号】12142

【品名】4-Chloro-N-(6,11-dihydrodibenzo[b,e]thiepin-11-yl)butanamide

【CA登记号】

【分子式】C₁₈H₁₈ClNOS

【分子量】331.86576

【元素组成】C 65.15% H 5.47% Cl 10.68% N 4.22% O 4.82% S 9.66%

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)

A more complete synthesis of AJ-2615 has been published: The acylation of 11-amino-6,11-dihydrodibenzo[b,e]thiepine (I) with 4-chlorobutyryl chloride (II) in refluxing toluene gives 4-chloro-N-(6,11-dihydrodibenzo[b,e]thiepin-11-yl)butyramide (III), which is then condensed with 1-(4-fluorophenyl)piperazine (IV) by means of NaI in hot DMF.

参考文献中间体

合成目标

【1】 Honda, Y.; Naruto, S.; Hatano, N.; Yoshida, T.; Kurokawa, M.; Uno, H.; Sato, F.; Fujiwara, I.; Matsumoto, J.-I.; A new class of calcium antagonists. 2. Synthesis and biological activity of 11-[[4-[4-(4-fluorophenyl)-1-piperazinyl]butyryl]amino]-6,11-dihydrodibenzo[b,e]thiepin maleate and related compounds. J Med Chem 1991, 34, 3, 927-34.

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)	12140	6,11-Dihydrodibenzo[b,e]thiepin-11-amine; 6,11-Dihydrodibenzo[b,e]thiepin-11-ylamine		C₁₄H₁₃NS	详情	详情
(II)	11265	4-Chlorobutanoyl chloride; 4-Chlorobutyric acid chloride	4635-59-0	C₄H₆Cl₂O	详情	详情
(III)	12142	4-Chloro-N-(6,11-dihydrodibenzo[b,e]thiepin-11-yl)butanamide		C₁₈H₁₈ClNOS	详情	详情
(IV)	12143	1-(4-Fluorophenyl)piperazine	2252-63-3	C₁₀H₁₃FN₂	详情	详情

Extended Information