3-bromo-1-[3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-1-propanone -Drug Synthesis Database

【结构式】

【分子编号】22619

【品名】3-bromo-1-[3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-1-propanone

【CA登记号】

【分子式】C₁₂H₁₄BrNOS

【分子量】300.2193

【元素组成】C 48.01% H 4.7% Br 26.62% N 4.67% O 5.33% S 10.68%

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)

The acylation of 2,3,4,5-tetrahydrobenzo-1,5 thiazepine (I) with 3-bromopropionyl bromide (II) by means of pyridine in toluene gives 5-(3-bromo-propionyl)-2,3,4,5 tetrahydrobenzo-1,5-thiazepine (III), which is then condensed with 2-(3,4-dimethoxyphenyl)ethylamine (IV) in refluxing dichloromethane, and treated with fumaric acid.

参考文献中间体

合成目标

【1】 Tomiyama, T. (Kotobuki Pharmaceutical Co., Ltd.); Antihypertensive 1,5-benzothiazepine derivs. and compsns. thereof. US 4584292 .
【2】 Prous, J.; Castaner, J.; KT-362. Drugs Fut 1988, 13, 7, 622.

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)	22617	2,3,4,5-tetrahydro-1,5-benzothiazepine		C₉H₁₁NS	详情	详情
(II)	22618	3-bromopropanoyl bromide		C₃H₄Br₂O	详情	详情
(III)	22619	3-bromo-1-[3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-1-propanone		C₁₂H₁₄BrNOS	详情	详情
(IV)	10098	2-(3,4-Dimethoxyphenyl)-1-ethanamine; 3,4-Dimethoxyphenethylamine; 2-(3,4-Dimethoxyphenyl)ethylamine	120-20-7	C₁₀H₁₅NO₂	详情	详情

Extended Information