4-(Benzyloxy)phenyl 4-(decyloxy)benzoate | 129561-09-7

• 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-(Benzyloxy)phenyl 4-(decyloxy)benzoate
• 英文别名: (4-phenylmethoxyphenyl) 4-decoxybenzoate
• CAS: 129561-09-7
• 化学式: C₃₀H₃₆O₄
• 分子量: 460.613
• InChiKey: CVZVJMWYUUNCPE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.3
• 重原子数：
  34
• 可旋转键数：
  16
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(Benzyloxy)phenyl 4-(decyloxy)benzoate 在 palladium on activated charcoal 五氯化磷 、 氢气 作用下， 以 溶剂黄146 、 甲苯 为溶剂， 生成 4-((4-(benzyloxy)benzoyl)oxy)phenyl 4-(decyloxy)benzoate
  参考文献：
  名称：

  Sakurai, Y.; Tamatani, A.; Teshima, K., Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals, 1992, vol. 213, p. 163 - 172

  摘要：

  DOI：
• 作为产物：
  描述：

  4-(癸氧基)苯甲酸 在 氯化亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 4-(Benzyloxy)phenyl 4-(decyloxy)benzoate
  参考文献：
  名称：

  1,1'-二取代二茂铁含结构的热致液晶的[Fe {（η 5 -C 5 H ^ 4）COOC 6 H ^ 4 XC 6 H ^ 4 OC Ñ ħ 2N + 1 } 2 ]（X OOC或COO）。中央酯官能团的取向对介晶性质的影响

  摘要：

  合成了在刚性有机部分中包括的酯功能的方向不同的1，1′-二取代的二茂铁的两个系列I和II，并且研究了它们的液晶性质。已发现后者很大程度上取决于连接酯基的取向和烷基链长。

  DOI：

  10.1002/hlca.19930760210

文献信息

• Achiral fluorine-containing liquid crystals
  申请人：——

  公开号：US05082587A1

  公开（公告）日：1992-01-21

  Achiral fluorine-containing liquid crystal compounds are provided. The compounds comprise a fluorocarbon terminal portion and a hydrocarbon or another fluorocarbon terminal portion, the terminal portions being connected by a central core, the compounds having smectic mesophases or having latent smectic mesophases. The compounds are useful in liquid crystal display devices both along and in mixtures with other materials. Also provided is a process for preparing these compounds.

  提供了无手性含氟液晶化合物。该化合物包括一个含氟碳端部和一个烃基或另一个含氟碳端部，这些端部由中心核心连接，该化合物具有各向异性介质或具有潜在的各向异性介质。该化合物可在液晶显示器件中与其他材料混合使用。还提供了制备这些化合物的过程。
• Tinh, Nguyen Huu; Salleneuve, C.; Babeau, A., Molecular Crystals and Liquid Crystals (1969-1991), 1987, vol. 151, p. 147 - 154
  作者：Tinh, Nguyen Huu、Salleneuve, C.、Babeau, A.、Galvan, J. M.、Destrade, C.

  DOI：——

  日期：——
• Synthesis and Characterization of Two Phenyl Ring Core-Based Thiophene Mesogens
  作者：M. Kesava Reddy、K. Subramanyam Reddy、M. Prakash、T. Narasimhaswamy

  DOI：10.1080/15421406.2013.790635

  日期：2013.10.1

  Novel thiophene mesogens built with two phenyl ring core and alkoxy terminal chains are synthesized by multistep route. The phenyl ring core is connected to thiophene by ester unit at (a) 2-position and (b) 3-position to yield 2-series of mesogens. The structural characterization of them is accomplished by using spectroscopy tools and the mesophase characteristics are evaluated by HOPM and DSC. The C-13 chemical shifts of representative mesogens calculated from DFT by quantum chemical calculations are compared with experimental C-13 chemical shifts and further utilized for structural assignment of core unit carbons. A good agreement between calculated and experimental values is noticed. An enantiotropic nematic phase is confirmed for all the mesogens and accordingly threaded nematic texture in HOPM is observed and is supported by DSC transition enthalpy values. The mesophase as well as thermal stabilities of the mesogens are discussed with reference to terminal chain length and position of the linking unit on thiophene.
• US5082587A
  申请人：——

  公开号：US5082587A

  公开（公告）日：1992-01-21