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化合物简介
3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxylic Acid is used in the preparation of isoxazolecarboxamides as a class of TGR5 agonists. Also used in the preparation of β-lactamase inhibitors.
基本信息
CAS:23598-72-3
中文别名:3-(2-氯苯基)-5-甲基-4异噁唑羧酸;5-甲基-3-(2-氯苯基)-4-异噁唑甲酸;3-(2-氯苯基)-5-甲基异唑-4-羧酸;3-(邻氯苯基)-5-甲基-4-异恶唑羧酸;
英文别名:3-(2-chlorophenyl)-5-methylisoxazol-4-carboxylic acid;3(2-chlorophenyl)-5-methyl-isoxazolyl-4-carboxylic acid;3-(2-CHLOROPHENYL)-5-METHYL-4-ISOXAZOLECARBOXYLIC ACID;5-methyl-3-(2\'-chlorophenyl)-4-isoxazolecarboxylic acid;3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxylic acid;[3-(2chlorophenyl)-5-methylisoxazol-4-yl]carboxylic acid;cmic acid;4-Isoxazolecarboxylic acid,3-(o-chlorophenyl)-5-methyl;4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-;3-(2-Chloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid;3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid;4-Isoxazolecarboxylic acid,3-(2-chlorophenyl)-5-methyl;
分子式:C11H8ClNO3
分子量:237.639
精确质量:237.019
Psa:63.33
Logp:3.0016
中文别名:3-(2-氯苯基)-5-甲基-4异噁唑羧酸;5-甲基-3-(2-氯苯基)-4-异噁唑甲酸;3-(2-氯苯基)-5-甲基异唑-4-羧酸;3-(邻氯苯基)-5-甲基-4-异恶唑羧酸;
英文别名:3-(2-chlorophenyl)-5-methylisoxazol-4-carboxylic acid;3(2-chlorophenyl)-5-methyl-isoxazolyl-4-carboxylic acid;3-(2-CHLOROPHENYL)-5-METHYL-4-ISOXAZOLECARBOXYLIC ACID;5-methyl-3-(2\'-chlorophenyl)-4-isoxazolecarboxylic acid;3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxylic acid;[3-(2chlorophenyl)-5-methylisoxazol-4-yl]carboxylic acid;cmic acid;4-Isoxazolecarboxylic acid,3-(o-chlorophenyl)-5-methyl;4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-;3-(2-Chloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid;3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid;4-Isoxazolecarboxylic acid,3-(2-chlorophenyl)-5-methyl;
分子式:C11H8ClNO3
分子量:237.639
精确质量:237.019
Psa:63.33
Logp:3.0016
编号系统
BRN号:791928
EINECS号:245-770-0
MDL号:MFCD00020813
EINECS号:245-770-0
MDL号:MFCD00020813
物化性质
外观与性状:奶油色固体
密度:1.385 g/cm3
沸点:374.5ºC at 760 mmHg
熔点:186-189ºC
闪点:180.3ºC
折射率:1.59
蒸汽压:2.83E-06mmHg at 25°C
密度:1.385 g/cm3
沸点:374.5ºC at 760 mmHg
熔点:186-189ºC
闪点:180.3ºC
折射率:1.59
蒸汽压:2.83E-06mmHg at 25°C
安全信息
安全说明:S22-S26-S36/37/39
危险类别码:R22; R36/37/38
海关编码:2934999090
危险品标志:Xn
危险类别码:R22; R36/37/38
海关编码:2934999090
危险品标志:Xn
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
