4-(4-hexadecyloxybenzoyloxy)benzoyl chloride | 1127647-73-7

• 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-hexadecyloxybenzoyloxy)benzoyl chloride
• CAS: 1127647-73-7
• 化学式: C₃₀H₄₁ClO₄
• 分子量: 501.106
• InChiKey: DSXRXFSCHCFTIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.14
• 重原子数：
  35.0
• 可旋转键数：
  19.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 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：

  4-(4-hexadecyloxybenzoyloxy)benzoyl chloride 、 1,5-bis{4-[3,4-(didodecyloxy)benzoyloxy]phenyl}-3-(thien-2-yl)-6-oxoverdazyl 在 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 以63%的产率得到1,5-bis{4-[4-(4-hexadecyloxybenzoyloxy)benzoyloxy]phenyl}-6-oxo-3-(thien-2-yl)verdazyl
  参考文献：
  名称：

  3-Substituted 6-oxoverdazyl bent-core nematic radicals: synthesis and characterization

  摘要：

  含有6-氧代苯并氮氧自由基作为中心角单元的弯曲核向列体表现出罕见的向列相行为。

  DOI：

  10.1039/c5ra04119h
• 作为产物：
  描述：

  p-(p'-hexadecyloxybenzoyloxy)benzaldehyde 在 Jones reagent 、 氯化亚砜 作用下， 以 丙酮 为溶剂， 反应 3.0h， 生成 4-(4-hexadecyloxybenzoyloxy)benzoyl chloride
  参考文献：
  名称：

  Synthesis and Characterization of Symmetrical Eight Aromatic Ring Containing Bent-Shaped Material Derived from Benzophenone

  摘要：

  A new family of symmetrical eight aromatic ring-containing bent-shaped mesogens in which the central elbow is a ketone has been synthesized and characterized. The effect of the side chain on the mesomorphism has been studied. All the bent derivatives were found to exhibit mesomorphism. The higher homologues of the series exhibit the B1 phase and the lower homologues of the series show the B6 phase.

  DOI：

  10.1080/15421406.2010.526450

文献信息

• Chiral Smectic *C Mesogens Having Ester and Amide Central Linkages
  作者：R. C. Tandel、R. A. Vora

  DOI：10.1080/15421400801915027

  日期：2008.3.20

  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.