2-(4-Carboxy-benzylidene)-malonic acid diheptyl ester | 1171949-78-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 2-(4-Carboxy-benzylidene)-malonic acid diheptyl ester
• 英文别名: 1,3-Diheptyl 2-[(4-carboxyphenyl)methylene]propanedioate；4-(3-heptoxy-2-heptoxycarbonyl-3-oxoprop-1-enyl)benzoic acid
• CAS: 1171949-78-2
• 化学式: C₂₅H₃₆O₆
• 分子量: 432.557
• InChiKey: CPSWLWKWTOARRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  31
• 可旋转键数：
  18
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  89.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(4-Carboxy-benzylidene)-malonic acid diheptyl ester 在 氯化亚砜 作用下， 生成 2-(4-Chlorocarbonyl-benzylidene)-malonic acid diheptyl ester
  参考文献：
  名称：

  Crystalline - Smectic C - Cubic - Isotropic - Nematic - Isotropic Polymorphism: Synthesis and Unexpected Behaviour of a New Series of Double-Swallow-Tailed Mesogens

  摘要：

  A new homologous series of six-ring double-swallow-tailed mesogens was prepared and investigated. Liquid-crystalline properties strongly depend on the length of the terminal alkyl chains. Six different phase sequences could be detected, two of them were unknown up to now. The derivatives DS-5...7 show smectic C, cubic and nematic phases, the longer-chain homologues DS-10...14, 16 have columnar phases. The substance DS-8 exhibits the most interesting phase sequence cr - S-C - cub - I-re - N - I. DS-8 represents the second pure compound with a stable reentrant isotropic phase. Optical, X-ray, and further investigations provide arguments to propose the structures of the different phases.

  DOI：

  10.1080/10587259508038689
• 作为产物：
  描述：

  丙二酸二庚酯 、 对醛基苯甲酸 在 哌啶乙酸盐 作用下， 生成 2-(4-Carboxy-benzylidene)-malonic acid diheptyl ester
  参考文献：
  名称：

  Crystalline - Smectic C - Cubic - Isotropic - Nematic - Isotropic Polymorphism: Synthesis and Unexpected Behaviour of a New Series of Double-Swallow-Tailed Mesogens

  摘要：

  A new homologous series of six-ring double-swallow-tailed mesogens was prepared and investigated. Liquid-crystalline properties strongly depend on the length of the terminal alkyl chains. Six different phase sequences could be detected, two of them were unknown up to now. The derivatives DS-5...7 show smectic C, cubic and nematic phases, the longer-chain homologues DS-10...14, 16 have columnar phases. The substance DS-8 exhibits the most interesting phase sequence cr - S-C - cub - I-re - N - I. DS-8 represents the second pure compound with a stable reentrant isotropic phase. Optical, X-ray, and further investigations provide arguments to propose the structures of the different phases.

  DOI：

  10.1080/10587259508038689

文献信息

• Crystalline - Smectic C - Cubic - Isotropic - Nematic - Isotropic Polymorphism: Synthesis and Unexpected Behaviour of a New Series of Double-Swallow-Tailed Mesogens
  作者：W. Weissflog、G. Pelzl、I. Letko、S. Diele

  DOI：10.1080/10587259508038689

  日期：1995.2

  A new homologous series of six-ring double-swallow-tailed mesogens was prepared and investigated. Liquid-crystalline properties strongly depend on the length of the terminal alkyl chains. Six different phase sequences could be detected, two of them were unknown up to now. The derivatives DS-5...7 show smectic C, cubic and nematic phases, the longer-chain homologues DS-10...14, 16 have columnar phases. The substance DS-8 exhibits the most interesting phase sequence cr - S-C - cub - I-re - N - I. DS-8 represents the second pure compound with a stable reentrant isotropic phase. Optical, X-ray, and further investigations provide arguments to propose the structures of the different phases.