ethyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate -Drug Synthesis Database

【结构式】

【分子编号】28963

【品名】ethyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

【CA登记号】4506-71-2

【分子式】C₁₁H₁₅NO₂S

【分子量】225.31164

【元素组成】C 58.64% H 6.71% N 6.22% O 14.2% S 14.23%

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：(I)

LM-1554 is synthesized by condensation of 2-amino-3-carbethoxy-4,5,6,7-tetrahydrobenzo[b]thiophene (I) with chloroacetonitrile (III) in the presence of dry hydrogen chloride gas followed by basification. Alternatively, 2-amino-3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophene (IV) can be condensed with chloroacetonitrile (III) under the above reaction conditions. The condensation of (I) with chloroacetamide (II) in the presence of an equivalent of phosphorus oxychloride in chloroform followed by basification also yields LM-1554.

参考文献中间体

合成目标

【1】 Shishoo, C.J.; et al.; Process for the manufacture of pharmacologically active new heterocyclic compounds and salts thereof. IN 151496 .
【2】 Arya, V.P.; LM-1554. Drugs Fut 1985, 10, 2, 123.

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)	28963	ethyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate	4506-71-2	C₁₁H₁₅NO₂S	详情	详情
(II)	28964	2-chloroacetamide	79-07-2	C₂H₄ClNO	详情	详情
(III)	14443	2-chloroacetonitrile; chloroacetonitrile	107-14-2	C₂H₂ClN	详情	详情
(IV)	28965	2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide		C₉H₁₂N₂OS	详情	详情

Extended Information