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化合物简介
基本信息
CAS:1143-82-4
中文别名:3-苯基-5-甲基-4-异恶唑甲酸乙酯;5-甲基-3-苯基异唑-4-羧酸乙酯;
英文别名:4-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-3-PHENYL-, ETHYL ESTER;5-Methyl-3-phenyl-isoxazol-4-carbonsaeure-aethylester;Ethyl 5-methyl-3-phenylisoxazole-4-carboxylate;5-Methyl-3-phenyl-isoxazol-carbonsaeure-(4)-aethylester;5-METHYL-3-PHENYL-4-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER;ETHYL 5-METHYL-3-PHENYL-4-ISOXAZOLE ACRBOXALATE;ETHYL5-METHYL-3-PHENYL-4-ISOXAZOLEACRBOXALATE;EINECS 214-541-7;5-methyl-3-phenylisoxazole-4-carboxylic acid ethyl ester;ETHYL5-METHYL-3-PHENYL-4-ISOXAZOLECARBOXALATE;ethyl 5-methyl-3-phenyl-isoxazole-4-carboxylate;3-Phenyl-4-ethoxycarbonyl-5-methyl-isoxazol;
分子式:C13H13NO3
分子量:231.247
精确质量:231.09
Psa:52.33
Logp:2.8267
中文别名:3-苯基-5-甲基-4-异恶唑甲酸乙酯;5-甲基-3-苯基异唑-4-羧酸乙酯;
英文别名:4-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-3-PHENYL-, ETHYL ESTER;5-Methyl-3-phenyl-isoxazol-4-carbonsaeure-aethylester;Ethyl 5-methyl-3-phenylisoxazole-4-carboxylate;5-Methyl-3-phenyl-isoxazol-carbonsaeure-(4)-aethylester;5-METHYL-3-PHENYL-4-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER;ETHYL 5-METHYL-3-PHENYL-4-ISOXAZOLE ACRBOXALATE;ETHYL5-METHYL-3-PHENYL-4-ISOXAZOLEACRBOXALATE;EINECS 214-541-7;5-methyl-3-phenylisoxazole-4-carboxylic acid ethyl ester;ETHYL5-METHYL-3-PHENYL-4-ISOXAZOLECARBOXALATE;ethyl 5-methyl-3-phenyl-isoxazole-4-carboxylate;3-Phenyl-4-ethoxycarbonyl-5-methyl-isoxazol;
分子式:C13H13NO3
分子量:231.247
精确质量:231.09
Psa:52.33
Logp:2.8267
编号系统
EINECS号:214-541-7
物化性质
密度:1.148 g/cm3
沸点:372.9ºC at 760 mmHg
闪点:179.3ºC
折射率:1.532
蒸汽压:9.34E-06mmHg at 25°C
沸点:372.9ºC at 760 mmHg
闪点:179.3ºC
折射率:1.532
蒸汽压:9.34E-06mmHg at 25°C
安全信息
海关编码:2934999090
生产方法及用途
生产方法
1.可用苯甲醛与盐酸羟胺一起加热,肟化生成苯甲肟,然后以氯气氯化得苯甲氯肟,将后者与乙酰乙酸乙酯环合制得该品。 苯唑青霉素钠的侧链。
用途
苯唑青霉素钠的侧链。
1.可用苯甲醛与盐酸羟胺一起加热,肟化生成苯甲肟,然后以氯气氯化得苯甲氯肟,将后者与乙酰乙酸乙酯环合制得该品。 苯唑青霉素钠的侧链。
用途
苯唑青霉素钠的侧链。
合成路线
上游原料
下游产品
图谱
13C NMR : Predict

1H NMR : Predict
