2-chloro-4-ferrocenylbenzoic acid | 516479-55-3

• 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: 2-chloro-4-ferrocenylbenzoic acid
• 英文别名: FcC6H3ClCOOH；2-chloro-4-cyclopenta-2,4-dien-1-ylbenzoic acid;cyclopenta-1,3-diene;iron(2+)
• CAS: 516479-55-3
• 化学式: C₁₇H₁₃ClFeO₂
• 分子量: 340.589
• InChiKey: NJPKYJHKOFAPLL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.83
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-chloro-4-ferrocenylbenzoic acid 、 4-(4-octyloxyphenyl)phenol 在 4-dimethylaminopyridine 、 dicyclohexylcarbodiimide 作用下， 以 二氯甲烷 为溶剂， 以45%的产率得到4'-octyloxy-4-biphenyl-2-chloro-4-ferrocenylbenzoate
  参考文献：
  名称：

  The synthesis and liquid crystal behaviour of monosubstituted ferrocenomesogens

  摘要：

  The synthesis and characterization of several new series of monosubstituted ferrocenyl-containing liquid crystals has been achieved. The results indicate that a terminal ferrocenyl group can promote stabilization of a nematic liquid crystal state. At least three phenyl rings are required in the molecular core in order to provide nematic properties and addition of a fourth ring substantially enhances it. Bulky lateral substituents or the introduction of linker groups that introduce kinks inhibit liquid crystal phase formation. Short highly polarising terminal groups or terminal groups that support hydrogen bonding support liquid crystal behaviour. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(02)02044-2
• 作为产物：
  描述：

  二茂铁 、 4-氨基-2-氯苯甲酸 在 NaNO₂ 作用下， 以 not given 为溶剂， 以5%的产率得到2-chloro-4-ferrocenylbenzoic acid
  参考文献：
  名称：

  The synthesis and liquid crystal behaviour of monosubstituted ferrocenomesogens

  摘要：

  The synthesis and characterization of several new series of monosubstituted ferrocenyl-containing liquid crystals has been achieved. The results indicate that a terminal ferrocenyl group can promote stabilization of a nematic liquid crystal state. At least three phenyl rings are required in the molecular core in order to provide nematic properties and addition of a fourth ring substantially enhances it. Bulky lateral substituents or the introduction of linker groups that introduce kinks inhibit liquid crystal phase formation. Short highly polarising terminal groups or terminal groups that support hydrogen bonding support liquid crystal behaviour. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(02)02044-2