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化合物简介
4-(4-Oxobutyl)benzoic Acid Methyl Ester is used as a reagent in the preparation of Pemetrexed and furoxanoxyalkyl esters of Pemetrexed as antifolates and nitric oxide donors for use as anticancer agents.
基本信息
CAS:106200-41-3
中文别名:
英文别名:methyl p-(4-oxobutyl)benzoate;4-(4\'-Carbomethoxyphenyl)butyraldehyde;2-Thiophenecarboxylic acid,4-(4-nitrophenyl)-,methyl ester;methyl 4-(4-nitrophenyl)thiophen-2-carboxylate;4-(4-carbomethoxyphenyl)butanal;4-(4-oxobutyl)benzoic acid methyl ester;4-(4-carboxymethoxyphenyl)butanal;4-p-carbomethoxyphenylbutyraldehyde;
分子式:C12H14O3
分子量:206.238
精确质量:206.094
Psa:43.37
Logp:1.9948
中文别名:
英文别名:methyl p-(4-oxobutyl)benzoate;4-(4\'-Carbomethoxyphenyl)butyraldehyde;2-Thiophenecarboxylic acid,4-(4-nitrophenyl)-,methyl ester;methyl 4-(4-nitrophenyl)thiophen-2-carboxylate;4-(4-carbomethoxyphenyl)butanal;4-(4-oxobutyl)benzoic acid methyl ester;4-(4-carboxymethoxyphenyl)butanal;4-p-carbomethoxyphenylbutyraldehyde;
分子式:C12H14O3
分子量:206.238
精确质量:206.094
Psa:43.37
Logp:1.9948
编号系统
物化性质
密度:1.082±0.06g/cm3
熔点:76.5-78ºC(ethylether)
水溶解性:Veryslightlysoluble(0.41g/L)(25ºC)
熔点:76.5-78ºC(ethylether)
水溶解性:Veryslightlysoluble(0.41g/L)(25ºC)
安全信息
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
