(E)-1-(3-methylstyryl)-3,5-bis(trifluoromethyl)benzene | 1610458-48-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (E)-1-(3-methylstyryl)-3,5-bis(trifluoromethyl)benzene
• 英文别名: 1-[(E)-2-(3-methylphenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene
• CAS: 1610458-48-4
• 化学式: C₁₇H₁₂F₆
• 分子量: 330.273
• InChiKey: XOERDWIFKUOPOC-AATRIKPKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-(m-tolylethynyl)-3,5-bis(trifluoromethyl)benzene 在 sodiumsulfide nonahydrate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 10.0h， 以76%的产率得到(E)-1-(3-methylstyryl)-3,5-bis(trifluoromethyl)benzene
  参考文献：
  名称：

  Transition-Metal-Free Semihydrogenation of Diarylalkynes: Highly Stereoselective Synthesis of trans-Alkenes Using Na₂S·9H₂O

  摘要：

  A highly stereoselective and efficient transition-metal-free semihydrogenation of internal alkynes to E-alkenes using cheap and green water as hydrogen donor is described. The reactions are conducted under convenient conditions and provide products in good to excellent yields, with broad substrate scope, including a variety of diarylalkynes.

  DOI：

  10.1021/ol501137x

文献信息

• Transition-Metal-Free Semihydrogenation of Diarylalkynes: Highly Stereoselective Synthesis of <i>trans</i>-Alkenes Using Na₂S·9H₂O
  作者：Zhengwang Chen、Miaoting Luo、Yuelu Wen、Guotian Luo、Liangxian Liu

  DOI：10.1021/ol501137x

  日期：2014.6.6

  A highly stereoselective and efficient transition-metal-free semihydrogenation of internal alkynes to E-alkenes using cheap and green water as hydrogen donor is described. The reactions are conducted under convenient conditions and provide products in good to excellent yields, with broad substrate scope, including a variety of diarylalkynes.