8-chloro-3-(chlorocarbonyl)pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-5-olate -Drug Synthesis Database

【结构式】

【分子编号】63292

【品名】8-chloro-3-(chlorocarbonyl)pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-5-olate

【CA登记号】

【分子式】C₁₀H₄Cl₂N₄O₂

【分子量】283.07292

【元素组成】C 42.43% H 1.42% Cl 25.05% N 19.79% O 11.3%

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：(II)

The known 3-carboxy-8-chloropyrazolo[5,1-c][1,2,4]benzotriazine 5-oxide (I) is converted into the corresponding acid chloride (II) upon treatment with SOCl2. Subsequent condensation of acid chloride (II) with 2-thienylmethanol (III) in CHCl3 in the presence of pyridine leads to the title thienylmethyl ester.

参考文献中间体

合成目标

【1】 Costanzo, A.; Guerrini, G.; Ciciani, G.; Bruni, F.; Costagli, C.; Selleri, S.; Besnard, F.; Costa, B.; Martini, C.; Malmberg Aiello, P.; Benzodiazepine receptor ligands. 7. Synthesis and pharmacological evaluation of new 3-esters of the 8-chloropyrazolo[5,1-c][1,2,4]benzotriazine 5-oxide. 3-(2-Thienylmethoxycarbonyl) derivative: An anxioselective agent in rodents. J Med Chem 2002, 45, 26, 5710.

中间体序号	中间体编号	品名	分子式	供应商	用于合成
(I)	43043	3-carboxy-8-chloropyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-5-olate	C₁₀H₅ClN₄O₃	详情	详情
(II)	63292	8-chloro-3-(chlorocarbonyl)pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-5-olate	C₁₀H₄Cl₂N₄O₂	详情	详情
(III)	63293	2-thienylmethanol	C₅H₆OS	详情	详情

Extended Information