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化合物简介
Diethyl 2-n-Butylmalonate is used as a reagent in the synthesis of 2,5-dihydropyrrole formyl hydroxyamino derivatives as peptide deformylase inhibitors against drug-resistant bacteria.
基本信息
CAS:133-08-4
中文别名:丁基丙二酸二乙酯;乙基丁基丙二酸酯;
英文别名:Butylmalonic Acid Diethyl Ester;Diethyl ButylMalonate;Propanedioic acid, butyl-, diethyl ester;diethyl 2-butylpropanedioate;Diethyl n-butylmalonate;
分子式:C11H20O4
分子量:216.274
精确质量:216.136
Psa:52.6
Logp:1.919
中文别名:丁基丙二酸二乙酯;乙基丁基丙二酸酯;
英文别名:Butylmalonic Acid Diethyl Ester;Diethyl ButylMalonate;Propanedioic acid, butyl-, diethyl ester;diethyl 2-butylpropanedioate;Diethyl n-butylmalonate;
分子式:C11H20O4
分子量:216.274
精确质量:216.136
Psa:52.6
Logp:1.919
编号系统
MDL号:MFCD00009170
EINECS号:205-089-1
PubChem号:24847059
EINECS号:205-089-1
PubChem号:24847059
物化性质
外观与性状:透明液体
密度:0.983g/mLat 25°C(lit.)
沸点:235-240°C(lit.)
熔点:119ºC
闪点:201°F
折射率:n20/D 1.422(lit.)
稳定性:Stable at room temperature in closed containers under normal storage and handling conditions.
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:0.0447mmHg at 25°C
密度:0.983g/mLat 25°C(lit.)
沸点:235-240°C(lit.)
熔点:119ºC
闪点:201°F
折射率:n20/D 1.422(lit.)
稳定性:Stable at room temperature in closed containers under normal storage and handling conditions.
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:0.0447mmHg at 25°C
安全信息
安全说明:S24/25
WGK Germany:1
海关编码:2917190090
WGK Germany:1
海关编码:2917190090
生产方法及用途
用途
有机合成中间体,主要用于医药制造,是保泰松(4-丁基-1,2-二苯基-3,5-吡唑烷二酮)等药物的原料。
有机合成中间体,主要用于医药制造,是保泰松(4-丁基-1,2-二苯基-3,5-吡唑烷二酮)等药物的原料。
合成路线
上游原料
下游产品
图谱
13C NMR : Predict

1H NMR : Predict

13C NMR : in CDCl3

1H NMR : 90 MHz in CDCl3

Mass spectrum (electron ionization)

Mass

Raman : 4880 A,200 M,liquid

IR : liquid film
