3,18-Dimethylene-icosa-1,19-diyne | 192385-13-0

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: 3,18-Dimethylene-icosa-1,19-diyne
• 英文别名: 3,18-Dimethylideneicosa-1,19-diyne
• CAS: 192385-13-0
• 化学式: C₂₂H₃₄
• 分子量: 298.512
• InChiKey: NQDRVRDBXYIDKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.9
• 重原子数：
  22
• 可旋转键数：
  17
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  3,18-Dimethylene-icosa-1,19-diyne 在 四(三苯基膦)钯 作用下， 以 甲苯 为溶剂， 反应 0.17h， 以71%的产率得到2-methylenebicyclo[15.2.2]heneicosa-17,19,20-triene
  参考文献：
  名称：

  First Synthesis of Exomethylene Paracyclophanes and Their Structural Properties

  摘要：

  A series of novel exomethylene paracyclophanes was synthesized by the intramolecular benzannulation of conjugated enynes in the presence of tetrakis(triphenylphosphine)palladium(0) Detailed spectral studies revealed that the conformation of the exomethylene paracyclophanes depends on the size of the ring; the alkene moiety does not conjugate with the adjacent phenyl group in the smaller exomethylene paracyclophanes.

  DOI：

  10.1021/jo970727e
• 作为产物：
  描述：

  1,12-二溴十二烷 、 2-甲基-1-丁烯-3-炔 在 正丁基锂 、 potassium tert-butylate 、 lithium bromide 作用下， 生成 3,18-Dimethylene-icosa-1,19-diyne
  参考文献：
  名称：

  First Synthesis of Exomethylene Paracyclophanes and Their Structural Properties

  摘要：

  A series of novel exomethylene paracyclophanes was synthesized by the intramolecular benzannulation of conjugated enynes in the presence of tetrakis(triphenylphosphine)palladium(0) Detailed spectral studies revealed that the conformation of the exomethylene paracyclophanes depends on the size of the ring; the alkene moiety does not conjugate with the adjacent phenyl group in the smaller exomethylene paracyclophanes.

  DOI：

  10.1021/jo970727e

文献信息

• First Synthesis of Exomethylene Paracyclophanes and Their Structural Properties
  作者：Shinichi Saito、Norie Tsuboya、Yoshinori Yamamoto

  DOI：10.1021/jo970727e

  日期：1997.7.1

  A series of novel exomethylene paracyclophanes was synthesized by the intramolecular benzannulation of conjugated enynes in the presence of tetrakis(triphenylphosphine)palladium(0) Detailed spectral studies revealed that the conformation of the exomethylene paracyclophanes depends on the size of the ring; the alkene moiety does not conjugate with the adjacent phenyl group in the smaller exomethylene paracyclophanes.