(1E,3E)-1-{o-[(1E,3E)-4-(p-methoxyphenyl)-1,3-butadienyl]phenyl}-4-(p-methoxyphenyl)-1,3-butadiene | 1351650-23-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (1E,3E)-1-{o-[(1E,3E)-4-(p-methoxyphenyl)-1,3-butadienyl]phenyl}-4-(p-methoxyphenyl)-1,3-butadiene
• 英文别名: 1,2-bis[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]benzene
• CAS: 1351650-23-1
• 化学式: C₂₈H₂₆O₂
• 分子量: 394.513
• InChiKey: SIMFOIWTSKANEW-MQVIWTJMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-甲氧基肉桂醛 、 o-xylylene(bistriphenylphospine) dibromide 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 生成 (1Z,3E)-1-{o-[(1Z,3E)-4-(p-methoxyphenyl)-1,3-butadienyl]phenyl}-4-(p-methoxyphenyl)-1,3-butadiene 、 (1Z,3E)-1-{o-[(1E,3E)-4-(p-methoxyphenyl)-1,3-butadienyl]phenyl}-4-(p-methoxyphenyl)-1,3-butadiene 、 (1E,3E)-1-{o-[(1E,3E)-4-(p-methoxyphenyl)-1,3-butadienyl]phenyl}-4-(p-methoxyphenyl)-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

• Novel arylated chloro- and methoxy-1,3-dibutadienes: Influence of substituents on molecular conformation and crystal packing
  作者：Dragana Vuk、Krešimir Molčanov、Irena Škorić

  DOI：10.1016/j.molstruc.2014.04.028

  日期：2014.6

  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.