[4-[[4-[11-[4-[(4-Chlorophenyl)iminomethyl]phenoxy]undecoxy]phenyl]iminomethyl]phenyl] thiophene-2-carboxylate | 1233237-55-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: [4-[[4-[11-[4-[(4-Chlorophenyl)iminomethyl]phenoxy]undecoxy]phenyl]iminomethyl]phenyl] thiophene-2-carboxylate
• 英文别名: [4-[[4-[11-[4-[(4-chlorophenyl)iminomethyl]phenoxy]undecoxy]phenyl]iminomethyl]phenyl] thiophene-2-carboxylate
• CAS: 1233237-55-2
• 化学式: C₄₂H₄₃ClN₂O₄S
• 分子量: 707.333
• InChiKey: GBJGLLGRYMXHTL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.3
• 重原子数：
  50
• 可旋转键数：
  21
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  97.7
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-formylphenyl thiophene-2-carboxylate 在 potassium carbonate 、 potassium iodide 作用下， 以 乙醇 、 丙酮 为溶剂， 反应 19.0h， 生成 [4-[[4-[11-[4-[(4-Chlorophenyl)iminomethyl]phenoxy]undecoxy]phenyl]iminomethyl]phenyl] thiophene-2-carboxylate
  参考文献：
  名称：

  Non-Symmetric Liquid Crystal Dimers: High Thermal Stability in Nematic Phase Enhanced by Thiophene-2-Carboxylate Moiety

  摘要：

  Series of non-symmetric liquid crystal dimers, -(4-benzylidenechloroaniline-4'-oxy)--[4-(thiophene-2-carboxyl)benzylideneaniline-4'-oxy]alkanes incorporating a thiophene-based moiety in one of the two mesogenic units have been synthesized and characterized. The nematogenic properties of the dimers were studied wherein the flexible spacers made up by n methylene units (-CH2-) ranging from n=5 to n=12. These dimers exhibit enantiotropic N phase with high thermal stability (187.0 degrees C). The N phase temperature range for the present homologues is found to be strongly dependent on the length and parity of the methylene spacer which connects the 4-benzylidenechloroaniline and 4-(thiophene-2-carboxyl)- benzylideneaniline mesogenic cores.

  DOI：

  10.1080/15421400902987248

文献信息

• Non-Symmetric Liquid Crystal Dimers: High Thermal Stability in Nematic Phase Enhanced by Thiophene-2-Carboxylate Moiety
  作者：Guan-Yeow Yeap、Tiang-Chuan Hng、Daisuke Takeuchi、Kohtaro Osakada、Wan Ahmad Kamil Mahmood、Masato M. Ito

  DOI：10.1080/15421400902987248

  日期：2009.8.6

  Series of non-symmetric liquid crystal dimers, -(4-benzylidenechloroaniline-4'-oxy)--[4-(thiophene-2-carboxyl)benzylideneaniline-4'-oxy]alkanes incorporating a thiophene-based moiety in one of the two mesogenic units have been synthesized and characterized. The nematogenic properties of the dimers were studied wherein the flexible spacers made up by n methylene units (-CH2-) ranging from n=5 to n=12. These dimers exhibit enantiotropic N phase with high thermal stability (187.0 degrees C). The N phase temperature range for the present homologues is found to be strongly dependent on the length and parity of the methylene spacer which connects the 4-benzylidenechloroaniline and 4-(thiophene-2-carboxyl)- benzylideneaniline mesogenic cores.