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化合物简介
Diethyl Ethylmalonate is used in the synthesis of HIV-1 reverse transcriptase inhibitors. Also used in the preparation of Peloruside A, a novel antimitotic agent used as a potential anti-cancer agent.
基本信息
CAS:133-13-1
中文别名:
英文别名:diethyl 2-ethylpropanedioate;Propanedioic acid, ethyl-, diethyl ester;Ethylmalonic Acid Diethyl Ester;
分子式:C9H16O4
分子量:188.221
精确质量:188.105
Psa:52.6
Logp:1.1388
中文别名:
英文别名:diethyl 2-ethylpropanedioate;Propanedioic acid, ethyl-, diethyl ester;Ethylmalonic Acid Diethyl Ester;
分子式:C9H16O4
分子量:188.221
精确质量:188.105
Psa:52.6
Logp:1.1388
编号系统
EINECS号:205-093-3
MDL号:MFCD00009167
PubChem号:24894303
BRN号:607635
MDL号:MFCD00009167
PubChem号:24894303
BRN号:607635
物化性质
外观与性状:透明无色液体
密度:1.004g/mLat 25°C(lit.)
沸点:75-77°C5mm Hg(lit.)
熔点:0°C
闪点:191°F
折射率:n20/D 1.416(lit.)
水溶解性:immiscible
稳定性:Stable under normal temperatures and pressures.
储存条件:Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
蒸汽压:0.18mmHg at 25°C
密度:1.004g/mLat 25°C(lit.)
沸点:75-77°C5mm Hg(lit.)
熔点:0°C
闪点:191°F
折射率:n20/D 1.416(lit.)
水溶解性:immiscible
稳定性:Stable under normal temperatures and pressures.
储存条件:Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
蒸汽压:0.18mmHg at 25°C
安全信息
安全说明:S24/25
危险类别码:R36/37/38
WGK Germany:2
海关编码:2917190090
危险品标志:Xi
危险类别码:R36/37/38
WGK Germany:2
海关编码:2917190090
危险品标志:Xi
生产方法及用途
用途
用途有机合成中间体。
用途有机合成中间体。
合成路线
上游原料
下游产品
图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict

13C NMR : in CDCl3

1H NMR : 90 MHz in CDCl3

Raman : 4880 A,200 M,liquid

Mass

IR : liquid film
