(2Z,4Z)-1,1,2,3,4,5,6,6-octaphenylhexa-2,4-diene-1,6-diol | 1353762-37-4

• 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: (2Z,4Z)-1,1,2,3,4,5,6,6-octaphenylhexa-2,4-diene-1,6-diol
• CAS: 1353762-37-4
• 化学式: C₅₄H₄₂O₂
• 分子量: 722.926
• InChiKey: NVRLEAVYGSDOSK-XXPLXOPUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.08
• 重原子数：
  56.0
• 可旋转键数：
  11.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  40.46
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  二苯甲酮 、 二苯基乙炔 在 萘 、 lithium 作用下， 以 四氢呋喃 为溶剂， 以39%的产率得到(2Z,4Z)-1,1,2,3,4,5,6,6-octaphenylhexa-2,4-diene-1,6-diol
  参考文献：
  名称：

  Synthesis and crystal structure of polyaryl substituted diene derivatives based on the reduction of diphenylacetylene with lithium naphthalenide

  摘要：

  The reduction of diphenylacetylene with lithium naphthalenide produced two kinds of intermediates, 1 or 2, depending on the ratio of diphenylacetylene to lithium naphthalenide. A series of polyaryl substituted ethylene/diene derivatives were synthesized by reaction of electrophiles with the corresponding intermediates produced in situ. All new compounds were fully characterized, and their single crystal structures were determined. (C) 2011 Shu Hong Li. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2011.10.009