3-Isopropoxy-5-methoxy-N-(1H-1,2,3,4-tetraazol-5-yl)-1-benzothiophene-2-carboxamide -Drug Synthesis Database

【结构式】

【分子编号】13894

【品名】3-Isopropoxy-5-methoxy-N-(1H-1,2,3,4-tetraazol-5-yl)-1-benzothiophene-2-carboxamide

【CA登记号】

【分子式】C₁₄H₁₅N₅O₃S

【分子量】333.371

【元素组成】C 50.44% H 4.54% N 21.01% O 14.4% S 9.62%

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：(VIII)

Saponification of ester (IV) yields the alkoxycarboxylic acid (VII), which is coupled with 5-aminotetrazole in the presence of 1,1'-carbonylbis(1H-imidazole) (CDI) to provide the carboxamidotetrazole (VIII). Reaction of (VIII) with sodium hydroxide furnishes CI-959 (IX) as the tetrazole sodium salt.

参考文献中间体

合成目标

【1】 Connor, D.T.; Cetenko, W.A.; Mullican, M.D.; Novel benzothiophene-, benzofuran-, and naphthalenecarboxamidotetrazoles as potential antiallergy agents. J Med Chem 1992, 35, 5, 958-65.
【2】 Unangst, P.C.; Connor, D.T.; Low, J.E.; Conroy, M.C.; CI-959. Drugs Fut 1994, 19, 1, 17.

中间体序号	中间体编号	品名	分子式	供应商	用于合成
(IV)	13890	methyl 3-isopropoxy-5-methoxy-1-benzothiophene-2-carboxylate	C₁₄H₁₆O₄S	详情	详情
(VII)	13893	3-Isopropoxy-5-methoxy-1-benzothiophene-2-carboxylic acid	C₁₃H₁₄O₄S	详情	详情
(VIII)	13894	3-Isopropoxy-5-methoxy-N-(1H-1,2,3,4-tetraazol-5-yl)-1-benzothiophene-2-carboxamide	C₁₄H₁₅N₅O₃S	详情	详情

Extended Information