3,4-bis[6-(4'-cyanobiphenyl-4-yloxy)hexyloxy]benzoic acid ethyl ester | 610785-23-4

• 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: 3,4-bis[6-(4'-cyanobiphenyl-4-yloxy)hexyloxy]benzoic acid ethyl ester
• 英文别名: Ethyl 3,4-bis[10-[4-(4-cyanophenyl)phenoxy]decoxy]benzoate；ethyl 3,4-bis[10-[4-(4-cyanophenyl)phenoxy]decoxy]benzoate
• CAS: 610785-23-4
• 化学式: C₅₅H₆₄N₂O₆
• 分子量: 849.123
• InChiKey: IDDFNFHVMVPOHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.3
• 重原子数：
  63
• 可旋转键数：
  31
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  111
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  3,4-bis[6-(4'-cyanobiphenyl-4-yloxy)hexyloxy]benzoic acid ethyl ester 在 氢氧化钾 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 3,4-Bis[10-[4-(4-cyanophenyl)phenoxy]decoxy]benzoic acid
  参考文献：
  名称：

  Full Miscibility of Disk- and Rod-Shaped Mesogens in the Nematic Phase

  摘要：

  Mesogens containing rod-shaped moieties as well as one disk-shaped group exhibit nematic phase behavior and are entirely miscible with rod- and disk-shaped mesogens in the nematic phase. In the phase diagram, an extra nematic phase appears at nearly equimolar disk-rod ratios, where the nematic biaxial phase has been predicted.

  DOI：

  10.1021/ja037075y
• 作为产物：
  描述：

  氰基联苯酚 在 potassium carbonate 、 丁酮 、 potassium iodide 作用下， 以 丁酮 为溶剂， 生成 3,4-bis[6-(4'-cyanobiphenyl-4-yloxy)hexyloxy]benzoic acid ethyl ester
  参考文献：
  名称：

  Full Miscibility of Disk- and Rod-Shaped Mesogens in the Nematic Phase

  摘要：

  Mesogens containing rod-shaped moieties as well as one disk-shaped group exhibit nematic phase behavior and are entirely miscible with rod- and disk-shaped mesogens in the nematic phase. In the phase diagram, an extra nematic phase appears at nearly equimolar disk-rod ratios, where the nematic biaxial phase has been predicted.

  DOI：

  10.1021/ja037075y