(2S,3S)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate -Drug Synthesis Database

【结构式】

【分子编号】62490

【品名】(2S,3S)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate

【CA登记号】

【分子式】C₁₈H₁₇NO₄S

【分子量】343.40332

【元素组成】C 62.96% H 4.99% N 4.08% O 18.64% S 9.34%

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：(IV)

Similarly, thiazepinone (I) was transesterified with isopropenyl acetate (V) to afford acetate ester (IV). Subsequent alkylation of the lactam N of (IV) with 2-(dimethylamino)ethyl mesylate (VI) in the presence of K2CO3 furnished diltiazem. Similarly, thiazepinone (I) was transesterified with isopropenyl acetate (V) to afford acetate ester (IV). Subsequent alkylation of the lactam N of (IV) with 2-(dimethylamino)ethyl mesylate (VI) in the presence of K2CO3 furnished diltiazem.

参考文献中间体

合成目标

【1】 Harsanyi, K.; Gizur, T.; Demeter, A.; Aracs, Z.; Felmeri, J.; Berki, K.; Trischeler, F.; Vincze, Z. (Gedeon Richter Ltd.); Process for the preparation of benzothiazepin-4(5H)-one derivs.. ES 2001146; JP 1987108872 .

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)	62436	(2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one		C₁₆H₁₅NO₃S	详情	详情
(III)	62488	(2S,3S)-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one		C₂₀H₂₄N₂O₃S	详情	详情
(IV)	62490	(2S,3S)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate		C₁₈H₁₇NO₄S	详情	详情
(V)	21178	isopropenyl acetate	108-22-5	C₅H₈O₂	详情	详情
(VI)	62491	ethyl 3-chloro-3-(3-pyridinyl)propyl(methyl)carbamate		C₁₂H₁₇ClN₂O₂	详情	详情

Extended Information