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化合物简介
Used in the preparation of a new class of neuroleptic agents.
基本信息
CAS：2689-68-1
中文别名：4-氧代四氢噻酚-3-羧酸甲酯;
英文别名：tetrahydro-4-oxo-3-thiophenecarboxylicacimethylester;3-oxo-4-methoxycarbonyltetrahydrothiophene;methyl 4-oxo-tetrahydro-thiophene-3-carboxylate;methyl 4-oxo-2,3,4,5-tetrahydrothiophene-3-carboxylate;methyl 4-keto-tetrahydrothiophene-3-carboxylate;4-CARBOMETHOXYTETRAHYDRO-3-THIOPHENE;Methyl 4-oxotetrahydrothiophene-3-carboxylate,Tech.;methyl tetrahydro-4-oxo-3-thiophenecarboxylate;4-carbomethoxy-2,3,4,5-tetrahydro-3-thiophenone;methyl tetrahydro-4-oxo-3-thenoate;4-CARBOMETHOXYTETRAHYDRO-3-THIOPHENONE;4-oxo-tetrahydro-thiophene-3-carboxylic acid methyl ester;METHYL 3-OXOTETRAHYDROTHIOPHENE4-CARBOXYLATE;
分子式：C6H8O3S
分子量：160.191
精确质量：160.019
Psa：68.67
Logp：0.0915
中文别名：4-氧代四氢噻酚-3-羧酸甲酯;
英文别名：tetrahydro-4-oxo-3-thiophenecarboxylicacimethylester;3-oxo-4-methoxycarbonyltetrahydrothiophene;methyl 4-oxo-tetrahydro-thiophene-3-carboxylate;methyl 4-oxo-2,3,4,5-tetrahydrothiophene-3-carboxylate;methyl 4-keto-tetrahydrothiophene-3-carboxylate;4-CARBOMETHOXYTETRAHYDRO-3-THIOPHENE;Methyl 4-oxotetrahydrothiophene-3-carboxylate,Tech.;methyl tetrahydro-4-oxo-3-thiophenecarboxylate;4-carbomethoxy-2,3,4,5-tetrahydro-3-thiophenone;methyl tetrahydro-4-oxo-3-thenoate;4-CARBOMETHOXYTETRAHYDRO-3-THIOPHENONE;4-oxo-tetrahydro-thiophene-3-carboxylic acid methyl ester;METHYL 3-OXOTETRAHYDROTHIOPHENE4-CARBOXYLATE;
分子式：C6H8O3S
分子量：160.191
精确质量：160.019
Psa：68.67
Logp：0.0915
编号系统
MDL号：MFCD00052381
物化性质
外观与性状：淡黄色至黄色结晶粉末
密度：1.309 g/cm3
沸点：248.4ºC at 760 mmHg
熔点：38-41ºC
闪点：116.7ºC
密度：1.309 g/cm3
沸点：248.4ºC at 760 mmHg
熔点：38-41ºC
闪点：116.7ºC
安全信息
安全说明：26-37/39
危险类别码：R36/37/38
海关编码：2934999090
危险品标志：Xi
危险类别码：R36/37/38
海关编码：2934999090
危险品标志：Xi
生产方法及用途
合成路线
上游原料
下游产品
图谱
13C NMR : Predict
1H NMR : Predict
