isopentyl 2-(isopentyloxy)-2-oxoacetate -Drug Synthesis Database

【结构式】

【分子编号】44608

【品名】isopentyl 2-(isopentyloxy)-2-oxoacetate

【CA登记号】

【分子式】C₁₂H₂₂O₄

【分子量】230.30428

【元素组成】C 62.58% H 9.63% O 27.79%

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：(X)

2) The condensation of quinolone (III) with 3 methylbutyl oxalate (X) [obtained from 3 methyl butanol (VIII) and oxalic acid (IX)] by means of NaH yields 3-methylbutyl-4-(4 hydroxy-7,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)-2,4-dioxobutanoate (XI), which is then cyclized by means of sulfuric acid. ([*]-labeled compound).

参考文献中间体

合成目标

【1】 Esumi, A.; Jin, Y.; Uohama, K.; Study in vivo of MY-5116. Absorption, distribution and elimination in rats. Clin Rep 1985, 20, 2, 391.
【2】 Castaner, J.; Prous, J.; Repirinast. Drugs Fut 1987, 12, 1, 37.

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(III)	23027	3-acetyl-4-hydroxy-7,8-dimethyl-2(1H)-quinolinone		C₁₃H₁₃NO₃	详情	详情
(VIII)	23032	3-methyl-1-butanol	123-51-3	C₅H₁₂O	详情	详情
(IX)	15713	Oxalic acid	144-62-7	C₂H₂O₄	详情	详情
(IX)	44607	2-hydroxy-2-oxoacetic acid		C₂H₂O₄	详情	详情
(X)	23034	isopentyl 2-(isopentyloxy)-2-oxoacetate		C₁₂H₂₂O₄	详情	详情
(X)	44608	isopentyl 2-(isopentyloxy)-2-oxoacetate		C₁₂H₂₂O₄	详情	详情
(XI)	23035	isopentyl 4-(4-hydroxy-7,8-dimethyl-2-oxo-1,2-dihydro-3-quinolinyl)-2,4-dioxobutanoate		C₂₀H₂₃NO₆	详情	详情
(XI)	44609	isopentyl 4-(4-hydroxy-7,8-dimethyl-2-oxo-1,2-dihydro-3-quinolinyl)-2,4-dioxobutanoate		C₂₀H₂₃NO₆	详情	详情

Extended Information