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化合物简介
Ethyl trans-4-Oxobutenoate, is an intermediate used in the synthesis of various pharmaceutically active molecules. It can also be used in the asymmetric catalytic alkynylation of acetaldehyde, producing attractive synthons with broad applications, such as (+)-Tetrahydropyrenophorol.
基本信息
CAS:2960-66-9
中文别名:反式-4-氧代-2-丁烯酸乙酯;
英文别名:ethyl fumaraldehydate;(E)-Ethyl 4-oxobut-2-enoate;ETHYL TRANS-4-OXO-2-BUTENOATE;(2E)-4-oxo-2-butenoic acid ethyl ester;Ethyl 3-formylacrylate~Ethyl fumaraldehydate~trans-4-Oxo-2-butenoic acid ethyl ester;ethyl 3-formylacrylate;Ethyl trans-4-oxo-2-butenoate;Ethyl 4-oxobut-2-enoate;(E)-4-oxobut-2-enoic acid ethyl ester;4-oxo-but-2-enoic acid ethyl ester;4-oxocrotonic acid ethyl ester;
分子式:C6H8O3
分子量:128.126
精确质量:128.047
Psa:43.37
Logp:0.3046
中文别名:反式-4-氧代-2-丁烯酸乙酯;
英文别名:ethyl fumaraldehydate;(E)-Ethyl 4-oxobut-2-enoate;ETHYL TRANS-4-OXO-2-BUTENOATE;(2E)-4-oxo-2-butenoic acid ethyl ester;Ethyl 3-formylacrylate~Ethyl fumaraldehydate~trans-4-Oxo-2-butenoic acid ethyl ester;ethyl 3-formylacrylate;Ethyl trans-4-oxo-2-butenoate;Ethyl 4-oxobut-2-enoate;(E)-4-oxobut-2-enoic acid ethyl ester;4-oxo-but-2-enoic acid ethyl ester;4-oxocrotonic acid ethyl ester;
分子式:C6H8O3
分子量:128.126
精确质量:128.047
Psa:43.37
Logp:0.3046
编号系统
MDL号:MFCD00236170
物化性质
密度:1.063
沸点:184-188ºC
熔点:-9ºC
闪点:78.6ºC
折射率:1.455
蒸汽压:0.343mmHg at 25°C
沸点:184-188ºC
熔点:-9ºC
闪点:78.6ºC
折射率:1.455
蒸汽压:0.343mmHg at 25°C
安全信息
安全说明:S23-S36/37/39-S45
危险类别码:R25; R34; R43
危险品运输编码:UN 2927
海关编码:2918300090
包装等级:III
危险类别码:R25; R34; R43
危险品运输编码:UN 2927
海关编码:2918300090
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 the American Chemical Society, , vol. 131, p. 3470 - 3471
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图谱
13C NMR : Predict
1H NMR : Predict










