4-Octyl-benzoic acid 4-hydroxy-phenyl ester | 69676-31-9

• 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-Octyl-benzoic acid 4-hydroxy-phenyl ester
• 英文别名: 4-Hydroxyphenyl 4-octylbenzoate；(4-hydroxyphenyl) 4-octylbenzoate
• CAS: 69676-31-9
• 化学式: C₂₁H₂₆O₃
• 分子量: 326.436
• InChiKey: HXCITMTVEAEHFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  24
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (R)-(+)-3-甲基己二酸 、 4-Octyl-benzoic acid 4-hydroxy-phenyl ester 在 4-dimethylaminopyrimidine 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成 bis[4-(4-octylbenzoyl)oxyphenyl] (3R)-3-methylhexanedioate
  参考文献：
  名称：

  Interlayer Correlation in Smectic Phases Induced by Chiral Twin Molecules

  摘要：

  Some chiral twin molecules were prepared and the structure-property relationships in the system consisting of chiral twin molecules and achiral host molecules were investigated. The spacer structure was found to have significant effect on the smectic layer strength and the twisting power in the SmC* phase. C-13 NMR measurements revealed that a chiral twin molecule affects motion of host molecules in the SmA phase. The obtained results are discussed in comparison with our proposed model, where chiral twin molecules are intercalated in the SmC-layers formed by achiral host molecules. The chiral twin molecules may produce a strong correlation in host molecules between adjacent layer but decrease the strength of the smectic layer structure.

  DOI：

  10.1080/10587259508038714

文献信息

• Transformation kinetics of liquid-crystallines based on 1,4-phenylene 4-n-alkylbenzoate-4-allyloxybenzoate by DSC
  作者：Zhonglin Bo、Yiping Shen

  DOI：10.1002/(sici)1097-4601(1997)29:5<317::aid-kin1>3.0.co;2-x

  日期：——

  The transformation kinetics of a series of liquid-crystallines based on 1,4-phenylene 4-n-alkybenzoate-4-allyloxybenzoate (PABAOB) was studied by nonisothermal methods using differential scanning calorimetry. These determinations led to the values of activation energy of transformation from 691.3 to 628.3 kJ/mol, respectively The values of the Avrami exponent n were from 3.0 to 2.6. The values of transformation activation energy decreased with the ascending of alkyl. The result shows that the process of transformation of PABAOB is a constant number of nuclei growing in three dimensions at constant rate and the crystal growth being controlled probably by a diffusion process. (C) 1997 John Wiley & Sons, Inc.
• Interlayer Correlation in Smectic Phases Induced by Chiral Twin Molecules
  作者：Atsushi Yoshizawa、Isa Nishiyama

  DOI：10.1080/10587259508038714

  日期：1995.2

  Some chiral twin molecules were prepared and the structure-property relationships in the system consisting of chiral twin molecules and achiral host molecules were investigated. The spacer structure was found to have significant effect on the smectic layer strength and the twisting power in the SmC* phase. C-13 NMR measurements revealed that a chiral twin molecule affects motion of host molecules in the SmA phase. The obtained results are discussed in comparison with our proposed model, where chiral twin molecules are intercalated in the SmC-layers formed by achiral host molecules. The chiral twin molecules may produce a strong correlation in host molecules between adjacent layer but decrease the strength of the smectic layer structure.