3-bromo-4 octyloxybenzoic acid chloride

• 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-bromo-4 octyloxybenzoic acid chloride
• 英文别名: 3-bromo-4-octoxybenzoyl chloride
• 化学式: C₁₅H₂₀BrClO₂
• 分子量: 347.68
• InChiKey: HPUDKRDSOWZAQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  19
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,3,4,4,5,5,6,6,7,7,8,8,8-十三氟-1-辛醇 、 3-bromo-4 octyloxybenzoic acid chloride 在 吡啶 作用下， 以 甲苯 为溶剂， 生成 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl 3-bromo-4-octoxybenzoate
  参考文献：
  名称：

  Liquid crystalline properties of some compounds having a perfluoroalkyl group

  摘要：

  The paper describes the liquid crystalline properties of 2-(n-perfluoroalkyl) ethyl para-, meta-, and/or ortho-substituted benzoates, and some related compounds. Most of the ortho and/or meta-substituted derivatives show a smectic B phase, while the para-substituted ones are non-mesogenic. When the substituent is a nitro or a cyano group, many derivatives show a smectic A, as well as a B phase. The corresponding 4-trans-alkylcyclohexanecarboxylates are non-mesogenic. Meta- or para-substituted phenyl omega-hydroperfluoroalkanoates are also non-mesogenic. From these results, we conclude that in order to show Liquid crystalline properties for the present systems, the substituents at meta and/or ortho positions, orientation of the ester group, and the rigid perfluoroalkyl group are very important. X-ray study indicated that the smectic A and B phases for polar liquid crystals have a partially bilayer and bilayer arrangements, respectively. The smectic B phase for non-polar liquid crystals have a monolayer arrangement. Thermal motion around the perfluoroalkyl group is assumed to be almost frozen in both phases. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-1139(98)00189-4

文献信息

• Liquid crystal materials containing a diphenylethane nucleus
  申请人：Thomson-CSF

  公开号：US04222888A1

  公开（公告）日：1980-09-16

  Novel mesomorphic substances, constituting, in certain temperature ranges, nematic or smectic liquid crystals which are compounds of the formula: ##STR1## wherein R.sub.1 is an alkoxy group containing 1 to 10 atoms of carbon; R.sub.2 is an alkyl group containing 1 to 10 atoms of carbon; X is Br or CN.

  小说远程物质，在某些温度范围内，构成向列相或液晶相的液晶化合物，其化学式为：##STR1##其中R.sub.1是含有1-10个碳原子的烷氧基；R.sub.2是含有1-10个碳原子的烷基；X是Br或CN。
• US4222888A
  申请人：——

  公开号：US4222888A

  公开（公告）日：1980-09-16
• US4235736A
  申请人：——

  公开号：US4235736A

  公开（公告）日：1980-11-25
• US4871472A
  申请人：——

  公开号：US4871472A

  公开（公告）日：1989-10-03
• Liquid crystalline properties of some compounds having a perfluoroalkyl group
  作者：Hiroaki Okamoto、Naonobu Yamada、Shunsuke Takenaka

  DOI：10.1016/s0022-1139(98)00189-4

  日期：1998.9

  The paper describes the liquid crystalline properties of 2-(n-perfluoroalkyl) ethyl para-, meta-, and/or ortho-substituted benzoates, and some related compounds. Most of the ortho and/or meta-substituted derivatives show a smectic B phase, while the para-substituted ones are non-mesogenic. When the substituent is a nitro or a cyano group, many derivatives show a smectic A, as well as a B phase. The corresponding 4-trans-alkylcyclohexanecarboxylates are non-mesogenic. Meta- or para-substituted phenyl omega-hydroperfluoroalkanoates are also non-mesogenic. From these results, we conclude that in order to show Liquid crystalline properties for the present systems, the substituents at meta and/or ortho positions, orientation of the ester group, and the rigid perfluoroalkyl group are very important. X-ray study indicated that the smectic A and B phases for polar liquid crystals have a partially bilayer and bilayer arrangements, respectively. The smectic B phase for non-polar liquid crystals have a monolayer arrangement. Thermal motion around the perfluoroalkyl group is assumed to be almost frozen in both phases. (C) 1998 Elsevier Science S.A. All rights reserved.