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化合物简介
Diethyl 3-Oxopentanedioate is a reactant used in the synthesis of 2-(3-benzoylthioureido)-thiophene-3-carbonitrile derivatives with antimicrobial activity.
基本信息
CAS:105-50-0
中文别名:丙酮二羧酸二乙酯;
英文别名:ETHYL ACETONEDICARBOXYLATE;3-oxopentanedioic acid diethyl ester;diethylacetone dicarboxylate;Pentanedioic acid, 3-oxo-, diethyl ester;Ethyl 3-oxoglutarate;DIETHYL 3-KETOGLUTARATE;DIETHYL 3-OXOGLUTARATE;3-Oxoglutaric Acid Diethyl Ester;Diethyl-3-oxopentaediote;1,3-Acetonedicarboxylic Acid Diethyl Ester;Diethyl 3-oxopentanedioate;diethyl acetone-1,3-dicarboxylate;3-oxoglutaric acid diethyl ester;Diethyl 3-oxoglutarate;Diethyl-3-oxo-pentan;Diethyl Acetone-1,3-Dicarboxylate;
分子式:C9H14O5
分子量:202.204
精确质量:202.084
Psa:69.67
Logp:0.4619
中文别名:丙酮二羧酸二乙酯;
英文别名:ETHYL ACETONEDICARBOXYLATE;3-oxopentanedioic acid diethyl ester;diethylacetone dicarboxylate;Pentanedioic acid, 3-oxo-, diethyl ester;Ethyl 3-oxoglutarate;DIETHYL 3-KETOGLUTARATE;DIETHYL 3-OXOGLUTARATE;3-Oxoglutaric Acid Diethyl Ester;Diethyl-3-oxopentaediote;1,3-Acetonedicarboxylic Acid Diethyl Ester;Diethyl 3-oxopentanedioate;diethyl acetone-1,3-dicarboxylate;3-oxoglutaric acid diethyl ester;Diethyl 3-oxoglutarate;Diethyl-3-oxo-pentan;Diethyl Acetone-1,3-Dicarboxylate;
分子式:C9H14O5
分子量:202.204
精确质量:202.084
Psa:69.67
Logp:0.4619
编号系统
PubChem号:24850124
EINECS号:203-302-2
MDL号:MFCD00009200
BRN号:640146
EINECS号:203-302-2
MDL号:MFCD00009200
BRN号:640146
物化性质
外观与性状:无色和油性液体
密度:1.113g/mLat 25°C(lit.)
沸点:250°C(lit.)
闪点:187°F
折射率:n20/D 1.440(lit.)
水溶解性:10 g/L (20 ºC)
稳定性:Stable under normal temperatures and pressures.
储存条件:2-8ºC
蒸汽压:0.0605mmHg at 25°C
密度:1.113g/mLat 25°C(lit.)
沸点:250°C(lit.)
闪点:187°F
折射率:n20/D 1.440(lit.)
水溶解性:10 g/L (20 ºC)
稳定性:Stable under normal temperatures and pressures.
储存条件:2-8ºC
蒸汽压:0.0605mmHg at 25°C
安全信息
安全说明:S23-S24/25
危险类别码:R36/37/38
WGK Germany:3
危险品运输编码:UN 2810
海关编码:2942000000
危险品标志:F
危险类别码:R36/37/38
WGK Germany:3
危险品运输编码:UN 2810
海关编码:2942000000
危险品标志:F
生产方法及用途
用途
用于有机合成;医药中间体
用于有机合成;医药中间体
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

Mass spectrum (electron ionization)

Mass

IR : liquid film
