化学科研者一站式服务平台
化合物简介
Dimethyl-1,3-acetonedicarboxylate is used in the preparation of optically active lycorane. It has also been substituted into bispidone derivatives for their use as ligands in PET imaging.
基本信息
CAS:1830-54-2
中文别名:3-戊酮二酸二甲酯;3-氧代戊二酸二甲酯;1,3-丙酮二甲酸二甲酯;丙酮二羧酸二甲酯;
英文别名:Dimethyl 3-Oxoglutarate;3-Oxoglutaric Acid Dimethyl Ester;Dimethyl 3-Ketoglutarate;Pentanedioic acid, 3-oxo-, dimethyl ester;1,3-Acetonedicarboxylic Acid Dimethyl Ester;Dimethyl acetone-1,3-dicarboxylate;DiMethyl 1;dimethyl acetone-1,3-dicarboxylate;Methyl-3-oxopentandioat;DIMETHYL 3-OXOLUTARATE;3-acetonedicarboxylate;3-Ketoglutaric Acid Dimethyl Ester;dimethyl 3-oxoglutarate;DIMETHYL 3-OXOPENTANEDIOATE;methyl acetonedicarboxylate;DIMETHYL 3-KETOGLUTARATE;Dimethyl 3-oxopentanedioate;Dimethyl-3-oxoglutarate;Dimethyl 1,3-acetone;
分子式:C7H10O5
分子量:174.151
精确质量:174.053
Psa:69.67
Logp:-0.3183
中文别名:3-戊酮二酸二甲酯;3-氧代戊二酸二甲酯;1,3-丙酮二甲酸二甲酯;丙酮二羧酸二甲酯;
英文别名:Dimethyl 3-Oxoglutarate;3-Oxoglutaric Acid Dimethyl Ester;Dimethyl 3-Ketoglutarate;Pentanedioic acid, 3-oxo-, dimethyl ester;1,3-Acetonedicarboxylic Acid Dimethyl Ester;Dimethyl acetone-1,3-dicarboxylate;DiMethyl 1;dimethyl acetone-1,3-dicarboxylate;Methyl-3-oxopentandioat;DIMETHYL 3-OXOLUTARATE;3-acetonedicarboxylate;3-Ketoglutaric Acid Dimethyl Ester;dimethyl 3-oxoglutarate;DIMETHYL 3-OXOPENTANEDIOATE;methyl acetonedicarboxylate;DIMETHYL 3-KETOGLUTARATE;Dimethyl 3-oxopentanedioate;Dimethyl-3-oxoglutarate;Dimethyl 1,3-acetone;
分子式:C7H10O5
分子量:174.151
精确质量:174.053
Psa:69.67
Logp:-0.3183
编号系统
EINECS号:217-385-8
BRN号:1366042
MDL号:MFCD00008462
BRN号:1366042
MDL号:MFCD00008462
物化性质
外观与性状:无色或淡黄色液体
密度:1.206g/mLat 20°C(lit.)
沸点:237-241°C760mm Hg(lit.)
熔点:16-17°C
闪点:>230°F
折射率:n20/D 1.444(lit.)
水溶解性:approx. 120 g/L (20 ºC)
稳定性:Stable under normal temperatures and pressures. Moisture sensitive.
储存条件:2-8ºC
蒸汽压:0.0111mmHg at 25°C
密度:1.206g/mLat 20°C(lit.)
沸点:237-241°C760mm Hg(lit.)
熔点:16-17°C
闪点:>230°F
折射率:n20/D 1.444(lit.)
水溶解性:approx. 120 g/L (20 ºC)
稳定性:Stable under normal temperatures and pressures. Moisture sensitive.
储存条件:2-8ºC
蒸汽压:0.0111mmHg at 25°C
安全信息
安全说明:S36/37
WGK Germany:1
危险类别码:R43
海关编码:2918300090
危险品标志:Xi
WGK Germany:1
危险类别码:R43
海关编码:2918300090
危险品标志:Xi
生产方法及用途
用途
医药中间体
医药中间体
合成路线
上游原料
下游产品
图谱
13C NMR : Predict

1H NMR : Predict

1H NMR : 90 MHz in CDCl3

Mass spectrum (electron ionization)

Mass

IR : liquid film
