4-(4-pentylbenzoyloxy)-benzoic acid | 135446-54-7

• 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-pentylbenzoyloxy)-benzoic acid
• 英文别名: 4-[(4-Pentylbenzoyl)oxy]benzoic acid；4-(4-pentylbenzoyl)oxybenzoic acid
• CAS: 135446-54-7
• 化学式: C₁₉H₂₀O₄
• 分子量: 312.365
• InChiKey: IBUMRWHOTPWLND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(4-pentylbenzoyloxy)-benzoic acid 在 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 生成 4-(Chlorocarbonyl)phenyl 4-pentylbenzoate
  参考文献：
  名称：

  Synthesis of Fluorosubstituted Three Ring Esters and Their Dielectric Properties

  摘要：

  Laterally substituted by fluorine atoms 4-cyanophenyl 4-(4-pentylbenzoyloxy)-benzoates have been prepared and their phase transition temperatures, enthalpies and dielectric properties upon frequency were evaluated. The novel compounds exhibit a broad range of nematic mesophase, large positive dielectric anisotropy changing sign at low frequency. They are convenient components of LC mixtures for dual frequency addressing devices.

  DOI：

  10.1080/15421400902817361
• 作为产物：
  描述：

  对羟基苯甲酸苄酯 在 吡啶 、 palladium 10% on activated carbon 、 氢气 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 4-(4-pentylbenzoyloxy)-benzoic acid
  参考文献：
  名称：

  Synthesis of Fluorosubstituted Three Ring Esters and Their Dielectric Properties

  摘要：

  Laterally substituted by fluorine atoms 4-cyanophenyl 4-(4-pentylbenzoyloxy)-benzoates have been prepared and their phase transition temperatures, enthalpies and dielectric properties upon frequency were evaluated. The novel compounds exhibit a broad range of nematic mesophase, large positive dielectric anisotropy changing sign at low frequency. They are convenient components of LC mixtures for dual frequency addressing devices.

  DOI：

  10.1080/15421400902817361

文献信息

• Nematic phases of bent-core mesogens
  作者：Christina Keith、Anne Lehmann、Ute Baumeister、Marko Prehm、Carsten Tschierske

  DOI：10.1039/b923262a

  日期：——

  Bent-core mesogens derived from 4-cyanoresorcinol with terminal alkyl chains have been synthesized and investigated by polarizing microscopy, XRD and electro-optical methods. Short chain compounds have exclusively nematic phases which can be cooled to ambient temperature. These nematic phases are similar to ordinary nematic phases with only nearest neighbour correlation (N) whereas long chain compounds form SmC-type cybotactic clusters and these cybotactic nematic phases (NcybC) can be regarded as strongly fragmented SmC phases. The chain length dependent as well as temperature dependent structural transition from N to NcybC is continuous and associated with a change of the position and intensity of the small angle scattering in the XRD patterns. Moreover, a temperature dependent stepwise transition from cybotactic nematic phases to different types of non-polar and tilted smectic phases (SmC(I) and SmC(II)) is observed with a mesophase composed of elongated, but not yet fused cybotactic clusters (CybC) as an intermediate state of this transition. This improves the understanding of the nature and special properties of the nematic phases formed by bent-core molecules as well as their transition to smectic phases and it paves the way to new materials with spontaneous or field-induced biaxial nematic phases at ambient temperatures.

  源自4-氰基水杨酚的弯曲核介质与末端烷基链的合成及其通过偏振显微镜、XRD和电光方法进行研究。短链化合物仅具有能冷却到室温的向列相。这些向列相与普通的向列相相似，仅具有最近邻的相关性（N），而长链化合物形成SmC型的赛博聚集体，这些赛博向列相（NcybC）可以被视为强烈分碎的SmC相。链长依赖性以及温度依赖性的从N相到NcybC相的结构转变是连续的，并且与XRD图案中小角散射的位置和强度的变化相关。此外，从赛博向列相到不同类型的非极性和倾斜的层状相（SmC(I)和SmC(II)）的温度依赖性逐步转变被观察到，中间状态为由拉伸但尚未融合的赛博聚集体（CybC）组成的介相。这增进了对由弯曲核分子形成的向列相的性质和特殊性能的理解，以及它们向层状相转变的过程，并为在室温下形成自发或电场诱导的双轴向列相的新材料铺平了道路。
• Minggui, Xie; Jun, Qin; Feng, Hong, Molecular Crystals and Liquid Crystals (1969-1991), 1991, vol. 209, p. 309 - 318
  作者：Minggui, Xie、Jun, Qin、Feng, Hong、Liangyu, Wang

  DOI：——

  日期：——
• XIE, MING-GUI;QIN, JUN;HONG, FENG;WANG, LIANG-YU, XUASYUEH SYUEHBAO, 49,(1991) N, S. 297-302
  作者：XIE, MING-GUI、QIN, JUN、HONG, FENG、WANG, LIANG-YU

  DOI：——

  日期：——
• US4001137A
  申请人：——

  公开号：US4001137A

  公开（公告）日：1977-01-04
• US4002670A
  申请人：——

  公开号：US4002670A

  公开（公告）日：1977-01-11