2-(4-nitrophenyl)-1,3-dioxolane -Drug Synthesis Database

【结构式】

【分子编号】53126

【品名】2-(4-nitrophenyl)-1,3-dioxolane

【CA登记号】n/a

【分子式】C₉H₉NO₄

【分子量】195.1748

【元素组成】C 55.39% H 4.65% N 7.18% O 32.79%

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：(II)

The precursor aldehyde (VI) was prepared as follows. 4-Nitrobenzaldehyde (I) was protected as the ethylene acetal (II) and subsequently reduced by catalytic hydrogenation in the presence of PtO2 to furnish aniline (III). Acylation of (III) with 2-thiophenecarbonyl chloride (IV) provided amide (V). The ethylene acetal group of (V) was then hydrolyzed to the target aldehyde (VI) under acidic conditions.

参考文献中间体

合成目标

【1】 Folkes, A.; et al.; Synthesis and in vitro evaluation of a series of diketopiperazine inhibitors of plasminogen activator inhibitor-1. Bioorg Med Chem Lett 2001, 11, 19, 2589.

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)	18184	4-Nitrobenzaldehyde	555-16-8	C₇H₅NO₃	详情	详情
(II)	53126	2-(4-nitrophenyl)-1,3-dioxolane	n/a	C₉H₉NO₄	详情	详情
(III)	53127	4-(1,3-dioxolan-2-yl)aniline; 4-(1,3-dioxolan-2-yl)phenylamine	n/a	C₉H₁₁NO₂	详情	详情
(IV)	14103	2-Thiophenecarbonyl chloride	5271-67-0	C₅H₃ClOS	详情	详情
(V)	53128	N-[4-(1,3-dioxolan-2-yl)phenyl]-2-thiophenecarboxamide	n/a	C₁₄H₁₃NO₃S	详情	详情
(VI)	53129	N-(4-formylphenyl)-2-thiophenecarboxamide	n/a	C₁₂H₉NO₂S	详情	详情

Extended Information