methyl 4,5-bis(p-fluorophenyl)-7-chloro-6-ethyl-2,4,6-nonatrienoate | 1021940-08-8

• 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: methyl 4,5-bis(p-fluorophenyl)-7-chloro-6-ethyl-2,4,6-nonatrienoate
• 英文别名: methyl (2E,4E,6Z)-6-butyl-7-chloro-4,5-bis(4-fluorophenyl)undeca-2,4,6-trienoate
• CAS: 1021940-08-8
• 化学式: C₂₈H₃₁ClF₂O₂
• 分子量: 473.003
• InChiKey: PLXKYMSNVCPYQB-YOIKZYCRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.1
• 重原子数：
  33
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-癸炔 、 1,1'-(1,2-乙炔二基)二(4-氟苯) 、 丙炔酸甲酯 以47%的产率得到methyl 4,5-bis(p-fluorophenyl)-7-chloro-6-ethyl-2,4,6-nonatrienoate
  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

文献信息

• Selective Linear Triene Formation from Different Alkynes using Zr/Cu system
  作者：Ken-ichiro Kanno、Eri Igarashi、Lishan Zhou、Kiyohiko Nakajima、Tamotsu Takahashi

  DOI：10.1021/ja8000387

  日期：2008.4.1

  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.