(1E,3E)-1-{o-[(1E,3E)-4-(p-chlorophenyl)-1,3-butadienyl]phenyl}-4-(p-chlorophenyl)-1,3-butadiene | 1463930-94-0

• 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: (1E,3E)-1-{o-[(1E,3E)-4-(p-chlorophenyl)-1,3-butadienyl]phenyl}-4-(p-chlorophenyl)-1,3-butadiene
• 英文别名: 1,2-bis[(1E,3E)-4-(4-chlorophenyl)buta-1,3-dienyl]benzene
• CAS: 1463930-94-0
• 化学式: C₂₆H₂₀Cl₂
• 分子量: 403.351
• InChiKey: HXGDXAJRXWHKCH-BWZMWZRISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 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-氯肉桂醛 、 o-xylylene(bistriphenylphospine) dibromide 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 以50%的产率得到(1E,3E)-1-{o-[(1E,3E)-4-(p-chlorophenyl)-1,3-butadienyl]phenyl}-4-(p-chlorophenyl)-1,3-butadiene
  参考文献：
  名称：

  Novel arylated chloro- and methoxy-1,3-dibutadienes: Influence of substituents on molecular conformation and crystal packing

  摘要：

  Three novel arylated chloro- and methoxy-1,3-butadienes were prepared and studied by a combination of spectroscopic (UV/vis, IR and NMR) and X-ray crystallographic methods. Influence of substituent on the molecular conformation and crystal packing (i.e. intermolecular interactions) was studied. It was predicted that the differences in electronic and steric effects of two chlorine atoms in comparison to two methoxy groups as substituents at different locations in the molecule would provide various packing of the molecules and cause different assumptions for the photochemical behaviour. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2014.04.028

文献信息

• Synthesis and photochemical transformations of new butadiene chromophores: The influence of the nature and position of chlorine substituent on the photoinduced behaviour
  作者：Dragana Vuk、Dalia Potroško、Marija Šindler-Kulyk、Željko Marinić、Krešimir Molčanov、Biserka Kojić-Prodić、Irena Škorić

  DOI：10.1016/j.molstruc.2013.07.052

  日期：2013.11

  Abstract The photochemical behaviour of mono- and dichloro-substituted butadiene derivatives was studied at low concentrations. These compounds display diverse photochemical behaviour. The α -chloro derivatives photocyclize to give six-membered ring photoproducts. p -Chloro-substituted butadienes undergo intramolecular [2 + 2] cycloaddition followed by formation of benzobicyclic structures. The steric

  摘要 研究了单氯和二氯取代丁二烯衍生物在低浓度下的光化学行为。这些化合物显示出不同的光化学行为。α-氯衍生物光环化得到六元环光产物。对氯取代的丁二烯进行分子内 [2 + 2] 环加成，然后形成苯并双环结构。相对于 p 取代和位移构象异构体平衡，α 位氯的空间位阻导致平面性的更大偏差，并影响反应途径和产率。
• Bis-butadiene derivative and electrophotographic photosensitive member
  申请人：KYOCERA Document Solutions Inc.

  公开号：US10795273B2

  公开（公告）日：2020-10-06

  A bis-butadiene derivative is represented by general formula (1) shown below. In general formula (1), Ra, Rb, and Rc each represent, independently of one another, an alkyl group having a carbon number of at least 1 and no greater than 8 or an alkoxy group having a carbon number of at least 1 and no greater than 8. l and m each represent, independently of one another, an integer of at least 0 and no greater than 5. n represents an integer of at least 0 and no greater than 4. Chemical groups Ra may be the same as or different from each other. Chemical groups Rb may be the same as or different from each other. Chemical groups Rc may be the same as or different from each other.

  双丁二烯衍生物的通式（1）如下所示。 在通式（1）中，Ra、Rb 和 Rc 各自独立地代表碳原子数至少为 1 且不大于 8 的烷基或碳原子数至少为 1 且不大于 8 的烷氧基。化学基团 Rb 可以相同，也可以不同。化学基团 Rc 可以相同，也可以不同。