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  • 丙二酸单叔丁酯

    3-tert-Butoxy-3-oxopropanoic acid

化合物简介

Mono-tert-butyl Malonate is a useful synthetic intermediate. It can be used to prepare quinoline-based zinc metallo-aminopeptidase inhibitors with antimalarial activity. It can also be used to synthesize truncated aminoglycoside-CoA bisubstrate analogs via chemo- and regioselective coupling reaction of amine and thiols, as inhibitors of aminoglycoside 6'-N-acetyltransferase Ii

基本信息

CAS:40052-13-9
中文别名:MONO-叔丁基丙二酸;叔丁基丙二酸酯;
英文别名:3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid;Malonic Acid Mono-tert-butyl Ester;mono-tert-Butyl malonate;3-Tert-butoxy-3-oxopropanoic acid;tert-Butyl Hydrogen Malonate;
分子式:C7H12O4
分子量:160.168
精确质量:160.074
Psa:63.6
Logp:0.8028

编号系统

MDL号:MFCD00191886

物化性质

密度:1.04g/mLat 25°C(lit.)
沸点:90°C2mm Hg(lit.)
熔点:19-20°C(lit.)
闪点:195°F
折射率:n20/D 1.426(lit.)

安全信息

安全说明:S26; S27; S36/37/39; S45
WGK Germany:3
危险类别码:R26
危险品运输编码:UN 2922 8/PG 3
海关编码:2918990090
危险品标志:T

生产方法及用途

合成路线

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图谱

13C NMR : Predict


1H NMR : Predict


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