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化合物简介
4'-Methylbiphenyl-2-carbonitrile is an intermediate in the synthesis of glycogen synthase kinase-3 inhibitors with a selective sting for glycogen synthase kinase 3α.
基本信息
CAS:114772-53-1
中文别名:甲基联苯;2-(4\'-甲苯基)苯腈;4-甲基-2-氰基联苯;2-氰基-4’-甲基联苯;沙坦联苯,4\'-甲基-2-腈基联苯;4\'-甲基-2-氰基联苯;沙坦联苯;4\'-甲基-2-腈基联苯;
英文别名:2\'-cyano-4-methyl-1,1\'-biphenyl;Sartanbiphenyl;2-Cyano-4\'-methylbiphenyl;4‘-Methyl-2-cyanobiphenyl;4-Cyanomethylbiphenyl;2-tolylbenzonitrile;OTBN;2-Cyano-4-Methylbiphenyl;Sartandiphenyl;4-Methyl-[1,1\'-biphenyl]-2-carbonitrile;2MPPC;4\'-Methyl-2-cyanobip;4\'-Methyl-2-biphenylcarbonitrile;4\'-methylbiphenyl-2-carbonitrile;4-methyl-2\'-cyanobiphenyl;
分子式:C14H11N
分子量:193.244
精确质量:193.089
Psa:23.79
Logp:3.53368
中文别名:甲基联苯;2-(4\'-甲苯基)苯腈;4-甲基-2-氰基联苯;2-氰基-4’-甲基联苯;沙坦联苯,4\'-甲基-2-腈基联苯;4\'-甲基-2-氰基联苯;沙坦联苯;4\'-甲基-2-腈基联苯;
英文别名:2\'-cyano-4-methyl-1,1\'-biphenyl;Sartanbiphenyl;2-Cyano-4\'-methylbiphenyl;4‘-Methyl-2-cyanobiphenyl;4-Cyanomethylbiphenyl;2-tolylbenzonitrile;OTBN;2-Cyano-4-Methylbiphenyl;Sartandiphenyl;4-Methyl-[1,1\'-biphenyl]-2-carbonitrile;2MPPC;4\'-Methyl-2-cyanobip;4\'-Methyl-2-biphenylcarbonitrile;4\'-methylbiphenyl-2-carbonitrile;4-methyl-2\'-cyanobiphenyl;
分子式:C14H11N
分子量:193.244
精确质量:193.089
Psa:23.79
Logp:3.53368
编号系统
EINECS号:422-310-9
PubChem号:24869571
BRN号:3605954
MDL号:MFCD00151805
PubChem号:24869571
BRN号:3605954
MDL号:MFCD00151805
物化性质
外观与性状:白色结晶粉末
密度:1,17 g/cm3
沸点:>320°C
熔点:49 °C
闪点:>320°C
折射率:1.603
蒸汽压:0.000668mmHg at 25°C
密度:1,17 g/cm3
沸点:>320°C
熔点:49 °C
闪点:>320°C
折射率:1.603
蒸汽压:0.000668mmHg at 25°C
安全信息
安全说明:S22; S26; S36/37/39; S36/37/45/57; S20; S36
危险类别码:R20/21/22; R36/37/38
海关编码:2926909090
危险品运输编码:3276
危险类别:9
包装等级:III
危险品标志:Xn
危险标志:GHS07
信号词:Warning
危险性防范说明:P280
危险性描述:H302; H312; H332
危险类别码:R20/21/22; R36/37/38
海关编码:2926909090
危险品运输编码:3276
危险类别:9
包装等级:III
危险品标志:Xn
危险标志:GHS07
信号词:Warning
危险性防范说明:P280
危险性描述:H302; H312; H332
生产方法及用途
用途
医药中间体,用于合成新型沙坦类抗高血压药,如洛沙坦、缬沙坦、伊普沙坦、伊贝沙坦等。
医药中间体,用于合成新型沙坦类抗高血压药,如洛沙坦、缬沙坦、伊普沙坦、伊贝沙坦等。
合成路线
上游原料
下游产品
图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict

Mass spectrum (electron ionization)
