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化合物简介
tert-Butyl Oxobutyrate is a chemical reagent used in the preparation of a potent Bcl-2/Bcl-xL inhibitor used in tumor inhibition. Also used in the synthesis of potent small molecule-peptide conjugates in HIV-1 inhibition.
基本信息
CAS:1694-31-1
中文别名:3-丁酮酸叔丁酯;乙酰乙酸树丁酯;叔丁基乙酰乙酸酯;
英文别名:Acetoacetic acid tert-butyl ester;tert-Butyl Acetoacetate;Tert-Butyl 3-oxobutanoate;tert-butyl 3-oxobutanoate;Butanoic acid, 3-oxo-, 1,1-dimethylethyl ester;
分子式:C8H14O3
分子量:158.195
精确质量:158.094
Psa:43.37
Logp:1.3072
中文别名:3-丁酮酸叔丁酯;乙酰乙酸树丁酯;叔丁基乙酰乙酸酯;
英文别名:Acetoacetic acid tert-butyl ester;tert-Butyl Acetoacetate;Tert-Butyl 3-oxobutanoate;tert-butyl 3-oxobutanoate;Butanoic acid, 3-oxo-, 1,1-dimethylethyl ester;
分子式:C8H14O3
分子量:158.195
精确质量:158.094
Psa:43.37
Logp:1.3072
编号系统
MDL号:MFCD00008811
物化性质
外观与性状:透明黄色液体
密度:0.97
沸点:190 °C
熔点:-38 °C
闪点:150°F
折射率:n20/D 1.419
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:0.749mmHg at 25°C
密度:0.97
沸点:190 °C
熔点:-38 °C
闪点:150°F
折射率:n20/D 1.419
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:0.749mmHg at 25°C
安全信息
安全说明:S24/25
危险类别码:R36/37/38
WGK Germany:1
海关编码:2918300090
危险品运输编码:3272
危险类别:3.2
包装等级:III
危险类别码:R36/37/38
WGK Germany:1
海关编码:2918300090
危险品运输编码:3272
危险类别:3.2
包装等级:III
生产方法及用途
合成路线
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参考文献
Journal of Organic Chemistry, , vol. 62, # 21 p. 7114 - 7120