3-氨基-5-环己基-4-硝基联苯-2-甲腈 | 1162678-16-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-氨基-5-环己基-4-硝基联苯-2-甲腈
• 英文名称: 3-amino-5-cyclohexyl-4-nitrobiphenyl-2-carbonitrile
• 英文别名: 2-amino-4-cyclohexyl-3-nitro-6-phenylbenzonitrile
• CAS: 1162678-16-1
• 化学式: C₁₉H₁₉N₃O₂
• 分子量: 321.379
• InChiKey: ZSKSZYJMRUJMKE-UHFFFAOYSA-N

物化性质

• 熔点：
  167-168 °C
• 沸点：
  521.3±50.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  95.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-(1-苯基亚乙基)丙二腈 、 2-cyclohexyl-1-nitroethene 在 [BmIm]OH 、 air 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以84%的产率得到3-氨基-5-环己基-4-硝基联苯-2-甲腈
  参考文献：
  名称：

  Basic Ionic Liquid as Catalyst for the Efficient and Green Synthesis of 2-Amino-3-nitrobenzonitriles in Ethanol

  摘要：

  [image omitted] A basic ionic liquid, [BmIm]OH was used as catalyst in the cyclocondensation of various kinds of vinylmalononitriles with nitroolefins in ethanol at reflux. A series of 2-amino-3-nitrobenzonitriles were obtained in reasonable yields. The straightforward and green protocol was found to be fairly efficient, and the catalyst could be recycled and reused in subsequent reactions with consistent activity. The mechanism of the reaction was discussed.

  DOI：

  10.1080/00397911.2010.486503

文献信息

• Basic Ionic Liquid as Catalyst for the Efficient and Green Synthesis of 2-Amino-3-nitrobenzonitriles in Ethanol
  作者：Zhiwei Chen、Kai Ding、Weike Su

  DOI：10.1080/00397911.2010.486503

  日期：2011.4.19

  [image omitted] A basic ionic liquid, [BmIm]OH was used as catalyst in the cyclocondensation of various kinds of vinylmalononitriles with nitroolefins in ethanol at reflux. A series of 2-amino-3-nitrobenzonitriles were obtained in reasonable yields. The straightforward and green protocol was found to be fairly efficient, and the catalyst could be recycled and reused in subsequent reactions with consistent activity. The mechanism of the reaction was discussed.