3-oxo-2-(3-thienyl)propanenitrile -Drug Synthesis Database

【结构式】

【分子编号】35820

【品名】3-oxo-2-(3-thienyl)propanenitrile

【CA登记号】

【分子式】C₇H₅NOS

【分子量】151.18884

【元素组成】C 55.61% H 3.33% N 9.26% O 10.58% S 21.21%

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：(II)

Condensation of 2-nitro-5-chlorophenylhydrazine (I) with cyanoaldehyde (II) afforded the aminopyrazole derivative (III). This was then cyclized to the target benzotriazine system upon treatment with aqueous NaOH.

参考文献中间体

合成目标

【1】 Bruni, F.; Malmberg Aiello, P.; Guerrini, G.; Martini, C.; Ipponi, A.; Costanzo, A.; Ciciani, G.; Costa, B.; Luccchini, A.; Selleri, S.; Benzodiazepine receptor ligands. 4. Synthesis and pharmacological evaluation of 3-heteroaryl-8-chloropyrazolo[5,1-c][1,2, 4]benzotriazine 5-oxides. J Med Chem 1999, 42, 12, 2218.

中间体序号	中间体编号	品名	分子式	供应商	用于合成
(I)	35819	1-(5-chloro-2-nitrophenyl)hydrazine	C₆H₆ClN₃O₂	详情	详情
(II)	35820	3-oxo-2-(3-thienyl)propanenitrile	C₇H₅NOS	详情	详情
(III)	35821	1-(5-chloro-2-nitrophenyl)-4-(3-thienyl)-1H-pyrazol-5-amine; 1-(5-chloro-2-nitrophenyl)-4-(3-thienyl)-1H-pyrazol-5-ylamine	C₁₃H₉ClN₄O₂S	详情	详情

Extended Information