phenyl 4,5-diphenyl-7-chloro-6-ethyl-3-phenylcarbonyl-2Z,4Z,6Z-nonatrienyl ketone | 1021940-07-7

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: phenyl 4,5-diphenyl-7-chloro-6-ethyl-3-phenylcarbonyl-2Z,4Z,6Z-nonatrienyl ketone
• 英文别名: (Z)-2-[(1Z,3Z)-4-chloro-3-ethyl-1,2-diphenylhexa-1,3-dienyl]-1,4-diphenylbut-2-ene-1,4-dione
• CAS: 1021940-07-7
• 化学式: C₃₆H₃₁ClO₂
• 分子量: 531.094
• InChiKey: QIKBRADOIDICDD-LGESBLDZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.5
• 重原子数：
  39
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-己炔 、 二苯基乙炔 、 二苯甲酰基乙炔 以42%的产率得到phenyl 4,5-diphenyl-7-chloro-6-ethyl-3-phenylcarbonyl-2Z,4Z,6Z-nonatrienyl ketone
  参考文献：
  名称：

  Selective Linear Triene Formation from Different Alkynes using Zr/Cu system

  摘要：

  Selective synthesis of linear trienes from three different alkynes was achieved in one-pot procedure using the Zr/Cu system. Zirconacyclopentadiene prepared from two different alkynes such as an alkyl-substituted alkyne and an aryl-substituted alkyne reacted with NCS gave chlorodienylzirconocene. It reacted with the third alkyne with electron-withdrawing groups in the presence of CuCl to afford the corresponding linear triene.

  DOI：

  10.1021/ja8000387