化学科研者一站式服务平台
化合物简介
                3-Methyl-2-phenylbutanenitrile is used as a reagent in the synthesis of disubstituted aminopiperidines as calcium channel blockers which are active on pain and neuropathic pain. 3-Methyl-2-phenylbutanenitrile is also used as a reagent in the synthesis of (methylethyl)(oxopropyl)benzeneacetonitrile and noremopamil enantiomers.
            
            基本信息
                CAS:5558-29-2
中文别名:3-甲基-2-苯基丁腈;
英文别名:3-methy-2-phenylbutyronitrile;Benzeneacetonitrile, α-(1-methylethyl)-;2-phenyl-3-methylbutyronitrile;3-Methyl-2-phenylbutyronitrile;2-methyl-2-phenylbutyronitrile;
分子式:C11H13N
分子量:159.228
精确质量:159.105
Psa:23.79
Logp:2.94978
            中文别名:3-甲基-2-苯基丁腈;
英文别名:3-methy-2-phenylbutyronitrile;Benzeneacetonitrile, α-(1-methylethyl)-;2-phenyl-3-methylbutyronitrile;3-Methyl-2-phenylbutyronitrile;2-methyl-2-phenylbutyronitrile;
分子式:C11H13N
分子量:159.228
精确质量:159.105
Psa:23.79
Logp:2.94978
编号系统
                                    MDL号:MFCD00019805
                            
            物化性质
                                    密度:0.957g/cm3
沸点:248.5ºC at 760mmHg
闪点:107.3ºC
折射率:1.505
                            
            沸点:248.5ºC at 760mmHg
闪点:107.3ºC
折射率:1.505
安全信息
                                    安全说明:S26; S36/37/39
危险类别码:R20/21/22
危险品运输编码:UN 3276
危险类别:6.1
包装等级:III
                   
            
            危险类别码:R20/21/22
危险品运输编码:UN 3276
危险类别:6.1
包装等级:III
生产方法及用途
合成路线
- 
                            参考文献Barbasiewicz, Michal; Marciniak, Karolina; Fedorynski, Michal Tetrahedron Letters, 2006 , vol. 47, # 23 p. 3871 - 3874 
上游原料
下游产品
图谱
13C NMR : Predict
 
                1H NMR : Predict
 
                










