3-Chloro-4-hydroxy-benzoic acid benzyl ester | 85303-64-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-Chloro-4-hydroxy-benzoic acid benzyl ester
• 英文别名: Benzyl 3-chloro-4-hydroxybenzoate
• CAS: 85303-64-6
• 化学式: C₁₄H₁₁ClO₃
• 分子量: 262.693
• InChiKey: RXDJDBKNFDLEOQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 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：

  3-Chloro-4-hydroxy-benzoic acid benzyl ester 、 苯甲酸,3,4,5-三(十二烷氧基)- 在 palladium on activated charcoal N,N'-二环己基碳二亚胺 、 DPTS 、 氢气 作用下， 以 二氯甲烷 、 乙醚 为溶剂， 生成 3,4,5-Tris-dodecyloxy-benzoic acid 4-carboxy-2-chloro-phenyl ester
  参考文献：
  名称：

  New Star-shaped Mesogens with Three Different Arms on a 1,3,5-Benzene Core

  摘要：

  The convergent synthesis of new symmetrical and non-symmetrical star-shaped mesogens based on a phloroglucinol core is presented. Molecules with three different arms were derived. via esterification, of various 4-benzoyl-benzoic acid derivatives, substituted with polar groups and n alkoxy chains (n = 1-3), by using a combination of protecting group techniques and stoichiometric reactions. The thermotropic properties were investigated by differential scanning calorimetry, polarised optical microscopy and synchrotron X-ray diffraction. It is found that molecules with more than. seven lateral chains form mesophases. The presence of strong polar groups (-NO2) enlarges the temperature range of the liquid crystal phase. For all studied materials the diffractograms can. be indexed according to a two-dimensional hexagonal lattice. The lattice parameters indicate that the flexible chains are interdigitated.

  DOI：

  10.1080/15421400490435422

文献信息

• New Star-shaped Mesogens with Three Different Arms on a 1,3,5-Benzene Core
  作者：Matthias Lehmann、Raluca Gearba、Dimitri Ivanov、M.H. J. Koch

  DOI：10.1080/15421400490435422

  日期：2004.1

  The convergent synthesis of new symmetrical and non-symmetrical star-shaped mesogens based on a phloroglucinol core is presented. Molecules with three different arms were derived. via esterification, of various 4-benzoyl-benzoic acid derivatives, substituted with polar groups and n alkoxy chains (n = 1-3), by using a combination of protecting group techniques and stoichiometric reactions. The thermotropic properties were investigated by differential scanning calorimetry, polarised optical microscopy and synchrotron X-ray diffraction. It is found that molecules with more than. seven lateral chains form mesophases. The presence of strong polar groups (-NO2) enlarges the temperature range of the liquid crystal phase. For all studied materials the diffractograms can. be indexed according to a two-dimensional hexagonal lattice. The lattice parameters indicate that the flexible chains are interdigitated.