4-(4'-octylcarbonyloxyphenyl)phenol

• 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: 4-(4'-octylcarbonyloxyphenyl)phenol
• 英文别名: 4-n-nonanoyloxy-4'-hydroxybiphenyl；[4-(4-hydroxyphenyl)phenyl] nonanoate
• 化学式: C₂₁H₂₆O₃
• 分子量: 326.436
• InChiKey: BKBCLJSCSUONMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 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：

  (S)-(+)-2,2-二甲基环丙甲酸 、 4-(4'-octylcarbonyloxyphenyl)phenol 生成 [4-(4-nonanoyloxyphenyl)phenyl] (1S)-2,2-dimethylcyclopropane-1-carboxylate
  参考文献：
  名称：

  TAXOBASI, KEHN;SAKURAI, TAKAO;XIGUTI, REITI

  摘要：

  DOI：
• 作为产物：
  描述：

  壬酸 、 4,4'-二羟基联苯 在 4-二甲氨基吡啶 、 N,N'-二异丙基碳二亚胺 作用下， 以 四氢呋喃 为溶剂， 反应 3.08h， 以48%的产率得到4-(4'-octylcarbonyloxyphenyl)phenol
  参考文献：
  名称：

  Biphenyl-based liquid crystal precursors with alkanoate and hydroxyl group

  摘要：

  We synthesized a series of 4-hydroxy-[1,1-biphenyl]-4-yl alkanoate with a potentially reactive functional hydroxyl group as a LC precursor, which facilitates reaction with other chemical groups to tailor biphenyl-based liquid crystals (LCs) for specific applications. Several liquid crystalline materials were also synthesized based on these LC precursors to show high probability to generate various potential LCs. With increasing chain length, the melting point decreased and R-f (retardation factor: migration distance of substance divided by migration distance of solvent front) of the synthesized LC precursor increased. This LC precursor series provides a useful first synthesis step to design tunable biphenyl/ester-based LCs.

  DOI：

  10.1080/15421406.2016.1177902

文献信息

• Liquid crystal compound
  申请人：Showa Shell Sekiyu Kabushiki Kaisha

  公开号：US05891359A1

  公开（公告）日：1999-04-06

  The novel liquid crystal compounds of the present invention are represented by the following formulas \x9bI!-\x9bII! and have tristable molecular orientation states and can be used for display devices and electrooptical devices. ##STR1## wherein R.sub.1 represents an alkyl group of 5-18 carbon atoms; R.sub.2 represents an alkyl group of 6-16 carbon atoms; R.sub.3 represents an alkyl group of 8-18 carbon atoms; R.sub.4 represents an alkyl group of 6-14 carbon atoms; Y represents ##STR2## and * indicates an optically active center.

  本发明的新型液晶化合物由以下公式\x9bI!-\x9bII!表示，具有三态分子取向状态，可用于显示器件和电光器件。其中，R.sub.1代表5-18个碳原子的烷基基团；R.sub.2代表6-16个碳原子的烷基基团；R.sub.3代表8-18个碳原子的烷基基团；R.sub.4代表6-14个碳原子的烷基基团；Y代表##STR2##，*表示一个光学活性中心。
• Biphenyl carbonic acid ester compounds and liquid crystal composition containing the same
  申请人：AJINOMOTO CO., INC.

  公开号：EP0207712A1

  公开（公告）日：1987-01-07

  A liquid crystal compound represented by the following general formula (1), which possesses a large spontaneous polarization about room temperature and a liquid crystal composition containing a liquid crystal compound represented by the following general formula (1) wherein R' represents C1-18 alkyl group, R2 represents straight or branched alkyl group or aralkyl group with or without optically active carbon, X represents a group selected from -OCOO-,-O-,-COO-,-OCO- or single bond, Y represents a group selected from -COOCH2-, -OCO or -OCOO-, in which at least one of X and Y is a-OCOO- group, m represents 0 or 1, z represents a chlorine or bromine, a carbon atom marked with * represents optically active carbon atom.

  由以下通式(1)表示的液晶化合物，它在室温下具有较大的自发极化，以及含有由以下通式(1)表示的液晶化合物的液晶组合物 其中 R' 代表 C1-18 烷基，R2 代表直链或支链烷基或芳烷基，带或不带光活性碳，X 代表选自 -OCOO-、-O-、-COO-、-OCO- 或单键的基团，Y 代表选自 -COOCH2-、-OCO 或 -OCOO- 的基团，其中 X 和 Y 中至少有一个是 OCOO-基团，m 代表 0 或 1，z 代表氯或溴，标有 * 的碳原子代表光活性碳原子。
• TAXOBASI, KEHN;SAKURAI, TAKAO;XIGUTI, REITI
  作者：TAXOBASI, KEHN、SAKURAI, TAKAO、XIGUTI, REITI

  DOI：——

  日期：——
• Optically active compound and liquid crystalline composition
  申请人：AJINOMOTO CO., INC.

  公开号：EP0244129B1

  公开（公告）日：1992-11-11
• US4732699A
  申请人：——

  公开号：US4732699A

  公开（公告）日：1988-03-22