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化合物简介
Phenyl-2-nitropropene is a chemical compound with the chemical formula is C9H9NO2. It can be produced by the reaction of benzaldehyde and nitroethane in the presence of a basic catalyst. In this reaction, the base deprotonates nitroethane to form a resonance stabilized anion. This anion nucleophilically adds to the aldehyde forming a beta nitro alcohol, which is subsequently dehydrated to yield the nitroalkene. This reaction is known as a nitroaldol reaction. Phenyl-2-nitropropene can be reduced in the presence of a catalyst to produce phenylacetone, which is a controlled precursor of methamphetamine. However, with lithium aluminium hydride it can simply be reduced to directly form amphetamine in moderate yields.
基本信息
CAS:705-60-2
中文别名:TRANS-BETA-甲基-BETA;2-甲基-2-硝基苯乙烯;2-硝基苯丙烯;2-硝基-1-苯基丙烯;
英文别名:2-NITROPROP-1-ENYLBENZENE;2-NITRO-1-PHENYLPROPENE;1-Phenyl-2-nitro-1-propene;Benzene, (2-nitro-1-propenyl)-;2-nitro-1-phenyl-1-propene;NITROPROPENYLBENZENE;
分子式:C9H9NO2
分子量:163.173
精确质量:163.063
Psa:45.82
Logp:2.8473
中文别名:TRANS-BETA-甲基-BETA;2-甲基-2-硝基苯乙烯;2-硝基苯丙烯;2-硝基-1-苯基丙烯;
英文别名:2-NITROPROP-1-ENYLBENZENE;2-NITRO-1-PHENYLPROPENE;1-Phenyl-2-nitro-1-propene;Benzene, (2-nitro-1-propenyl)-;2-nitro-1-phenyl-1-propene;NITROPROPENYLBENZENE;
分子式:C9H9NO2
分子量:163.173
精确质量:163.063
Psa:45.82
Logp:2.8473
编号系统
MDL号:MFCD00014720
物化性质
外观与性状:橙色针状
密度:1.141 g/cm3
沸点:263ºC at 760 mmHg
熔点:63-65ºC
闪点:115.7ºC
折射率:1.586
密度:1.141 g/cm3
沸点:263ºC at 760 mmHg
熔点:63-65ºC
闪点:115.7ºC
折射率:1.586
安全信息
RTECS号:DA6495000
安全说明:S26; S36; S37/39
危险类别码:R36/37/38
WGK Germany:3
海关编码:2904209090
危险品标志:Xi
安全说明:S26; S36; S37/39
危险类别码:R36/37/38
WGK Germany:3
海关编码:2904209090
危险品标志:Xi
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

Mass

IR : KBr disc

IR : nujol mull
