2-(bromomethyl)-4-isopropyl-6-methoxy-1H-1,2-benzisothiazole-1,1,3(2H)-trione -Drug Synthesis Database

【结构式】

【分子编号】62084

【品名】2-(bromomethyl)-4-isopropyl-6-methoxy-1H-1,2-benzisothiazole-1,1,3(2H)-trione

【CA登记号】

【分子式】C₁₂H₁₄BrNO₄S

【分子量】348.2175

【元素组成】C 41.39% H 4.05% Br 22.95% N 4.02% O 18.38% S 9.21%

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：(VI)

2-Amino-3-hydroxypyridine (I) is alkylated with N-(2-chloroethyl)piperidine (II) under phase transfer conditions to provide ether (III). Subsequent cyclization of aminopyridine (III) with bis-trichlorophenyl malonate (IV) in refluxing acetone leads to the pyridopyrimidine (V). This is finally condensed with the N-(bromomethyl)saccharin derivative (VI) to furnish the title compound.

参考文献中间体

合成目标

【1】 Hermecz, I.; Kapui, Z.; Arányi, P.; Bátori, S.; Varga, M.; Dessilla, S.; Lévai, F.; Mikus, E.; Pascal, M.; Simonot, B.; Urbán Szabó, K.; Vasváriné Debreczy, L.; T. Nagy, L. (Sanofi-Synthélabo); Saccharin derivs. as orally active elastase inhibitors. WO 0144245 .

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)	37086	2-amino-3-pyridinol; 2-Amino-3-hydroxypyridine	16867-03-1	C₅H₆N₂O	详情	详情
(II)	10117	1-(2-Chloroethyl)piperidine; N-(2-Chloroethyl)piperidine	1932-03-2	C₇H₁₄ClN	详情	详情
(III)	62082	3-[2-(1-piperidinyl)ethoxy]-2-pyridinamine; 3-[2-(1-piperidinyl)ethoxy]-2-pyridinylamine		C₁₂H₁₉N₃O	详情	详情
(IV)	12956	bis(2,4,6-trichlorophenyl) malonate		C₁₅H₆Cl₆O₄	详情	详情
(V)	62083	2-hydroxy-9-[2-(1-piperidinyl)ethoxy]-4H-pyrido[1,2-a]pyrimidin-4-one		C₁₅H₁₉N₃O₃	详情	详情
(VI)	62084	2-(bromomethyl)-4-isopropyl-6-methoxy-1H-1,2-benzisothiazole-1,1,3(2H)-trione		C₁₂H₁₄BrNO₄S	详情	详情

Extended Information