4-(4'-propoxybenzoyloxy)benzoyl chloride | 159411-41-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 4-(4'-propoxybenzoyloxy)benzoyl chloride
• 英文别名: 4-(4-propoxybenzoyloxy)benzoyl chloride；(4-carbonochloridoylphenyl) 4-propoxybenzoate
• CAS: 159411-41-3
• 化学式: C₁₇H₁₅ClO₄
• 分子量: 318.757
• InChiKey: MWFWKEKSDJDQEJ-UHFFFAOYSA-N

物化性质

• 沸点：
  458.9±30.0 °C(Predicted)
• 密度：
  1.243±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.07
• 重原子数：
  22.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  3-氰基-7-羟基香豆素 、 4-(4'-propoxybenzoyloxy)benzoyl chloride 以 吡啶 、 苯 为溶剂， 反应 6.0h， 生成 3-cyano-7-(4'-(4"-propoxybenzoyloxy)benzoyloxy)coumarin
  参考文献：
  名称：

  New Liquid Crystalline Material Exhibiting a Reentrant Nematic Phase

  摘要：

  DOI：

  10.1080/00268948308075359
• 作为产物：
  描述：

  4-(4-propoxybenzoyloxy)benzoic acid 在 氯化亚砜 作用下， 生成 4-(4'-propoxybenzoyloxy)benzoyl chloride
  参考文献：
  名称：

  Chiral Smectic *C Mesogens Having Ester and Amide Central Linkages

  摘要：

  Ten members of a chiral homologous series 4-(4'-n-alkoxy benzoyloxy benzoyl)4''- S- (+) 2-methyl butoxy anilides were synthesized in multiple step synthesis. Series exhibits chiral smectic *C and cholesteric mesophases. In this series, n-propyl to n-dodecyl derivatives exhibit smectic *C and cholesteric mesophases. n-Tetradecyl and n-hexadecyl derivatives exhibit only smectic *C phases. The plot of transition temperatures versus number of carbon atoms in alkoxy chain exhibits odd-even effect for cholestric-isotropic transition temperatures. The effect of amide linkage and chirality is discussed in detail. High-temperature cholestric phases exhibit vivid colors. Two compounds were analyzed by calorimetric study (C12 and C14) to confirm the transition temperatures of which was observed under polarizing microscope. The mesogenic behavior of the series compared with other series where amide central linkage differs in its position. The mesogenic thermal stability is compared with other related homologous series. The result indicates that amide linkage enhances smectic as well as cholesteric thermal stability but enhancement in smectic phase is much higher. Compounds are characterized by elemental analysis, IR spectral data, Mass spectral data, DSC, NMR, and microscopic study.

  DOI：

  10.1080/15421400801915027