(1-bromo-2-(4,4-dimethylcyclohex-2-enyl)vinyl)benzene | 1414802-57-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (1-bromo-2-(4,4-dimethylcyclohex-2-enyl)vinyl)benzene
• 英文别名: [(E)-1-bromo-2-(4,4-dimethylcyclohex-2-en-1-yl)ethenyl]benzene
• CAS: 1414802-57-5
• 化学式: C₁₆H₁₉Br
• 分子量: 291.231
• InChiKey: DGCWKPTZPQVBRS-NTCAYCPXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  4,4-dimethyl-2-cyclohexen-1-ol 、 苯乙炔 在 indium(III) bromide 作用下， 以 1,2-二溴乙烷 为溶剂， 以62.264%的产率得到
  参考文献：
  名称：

  Indium-Promoted Allylation of Alkynes with Allylic Alcohols: Highly Regioselective Synthesis of Halogen-Substituted 1,4-Dienes

  摘要：

  Indium-promoted allylation of alkynes by direct use of allyl alcohols as the allylating agents has been developed under mild conditions, in which a wide range of allylic alcohols and alkynes (both aromatic and aliphatic alkynes) could be tolerated, and the corresponding halogen-substituted 1,4-dienes were obtained in moderate to excellent yields.

  DOI：

  10.1080/00397911.2011.604896

文献信息

• Indium-Promoted Allylation of Alkynes with Allylic Alcohols: Highly Regioselective Synthesis of Halogen-Substituted 1,4-Dienes
  作者：Hui-Lan Yue、Lei Ma、Jian-Xin Ji

  DOI：10.1080/00397911.2011.604896

  日期：2013.1.1

  Indium-promoted allylation of alkynes by direct use of allyl alcohols as the allylating agents has been developed under mild conditions, in which a wide range of allylic alcohols and alkynes (both aromatic and aliphatic alkynes) could be tolerated, and the corresponding halogen-substituted 1,4-dienes were obtained in moderate to excellent yields.