4-hydroxyphenyl 4-octyloxybiphenyl-4'-carboxylate | 104632-05-5

• 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-hydroxyphenyl 4-octyloxybiphenyl-4'-carboxylate
• 英文别名: 4-Hydroxyphenyl 4'-octyloxy-4-biphenylcarboxylate；(4-hydroxyphenyl) 4-(4-octoxyphenyl)benzoate
• CAS: 104632-05-5
• 化学式: C₂₇H₃₀O₄
• 分子量: 418.533
• InChiKey: PHADLZACUXNNTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  31
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (S)-(-)-2-methyl-1-decanol 、 4-hydroxyphenyl 4-octyloxybiphenyl-4'-carboxylate 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 反应 36.0h， 生成 4'-Octyloxy-biphenyl-4-carboxylic acid 4-((S)-2-methyl-decyloxy)-phenyl ester
  参考文献：
  名称：

  New chiral side chains for ferro- and antiferro-electric liquid crystals derived from the preen-gland wax of the domestic goose

  摘要：

  从家鹅前腺蜡中获得了 (2R,4R,6R,8R)-2,4,6,8-四甲基癸酸和 (2R,4R,6R,8R)-2,4,6,8-四甲基癸醇，以及 4,6,8-三甲基癸-2-醇的 (2R,4R,6R,8R) 和 (2S,4R,6R,8R) 非对映异构体。以这些烷醇和烷酸为起点，合成了手性侧链中含有四个甲基分支的新型铁电和反铁电液晶，并研究了它们的介形和电光特性。研究结果与手性 (S)-2-甲基癸酸、(S)-2-癸醇和 (S)-2-甲基癸醇衍生物的特性进行了比较。与只有一个甲基支链的化合物相比，手性侧链上有四个甲基支链的化合物表现出更低的熔点、更宽的 SmC* 相范围、更高的自发极化值和更大的倾斜角。

  DOI：

  10.1039/a704503d
• 作为产物：
  描述：

  在 钯 氢气 作用下， 生成 4-hydroxyphenyl 4-octyloxybiphenyl-4'-carboxylate
  参考文献：
  名称：

  New chiral side chains for ferro- and antiferro-electric liquid crystals derived from the preen-gland wax of the domestic goose

  摘要：

  从家鹅前腺蜡中获得了 (2R,4R,6R,8R)-2,4,6,8-四甲基癸酸和 (2R,4R,6R,8R)-2,4,6,8-四甲基癸醇，以及 4,6,8-三甲基癸-2-醇的 (2R,4R,6R,8R) 和 (2S,4R,6R,8R) 非对映异构体。以这些烷醇和烷酸为起点，合成了手性侧链中含有四个甲基分支的新型铁电和反铁电液晶，并研究了它们的介形和电光特性。研究结果与手性 (S)-2-甲基癸酸、(S)-2-癸醇和 (S)-2-甲基癸醇衍生物的特性进行了比较。与只有一个甲基支链的化合物相比，手性侧链上有四个甲基支链的化合物表现出更低的熔点、更宽的 SmC* 相范围、更高的自发极化值和更大的倾斜角。

  DOI：

  10.1039/a704503d

文献信息

• Ferroelectric Liquid Crystals Having Various Cores. Effect of Core Structure on Physical Properties
  作者：Shin-ichi Sugita、Susumu Toda、Tetsuo Yamashita、Tsutomu Teraji

  DOI：10.1246/bcsj.66.568

  日期：1993.2

  Ferroelectric liquid crystals (FLC’s) having various cores were synthesized and the effect of the different core structures on the spontaneous polarization (Ps) values was investigated. The results indicate that the core structure has a great influence on the Ps value and introduction of a heterocycles such as pyrimidine and thiadiazole ring in the core increases the Ps value. Moreover, several compounds in this series are interesting as chiral dopants for FLC, because the mixtures containing them showed superior properties as FLC mixture.

  合成了具有各种核的铁电液晶（FLC），并研究了不同核结构对自发极化（Ps）值的影响。结果表明，核心结构对Ps值影响很大，在核心中引入嘧啶环、噻二唑环等杂环可提高Ps值。此外，该系列中的几种化合物作为 FLC 的手性掺杂剂很有趣，因为含有它们的混合物显示出作为 FLC 混合物的优异性能。
• Method for producing (2R,3S)-3-hydroxy-2-methylbutyrate by microbial
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US05232853A1

  公开（公告）日：1993-08-03

  A (2R,3S)-3-hydroxy-2-methylbutyrate is efficiently and selectively produced by microbial asymmetric reduction of a 2-methyl-3-oxobutyrate with a bacterial strain or its processed material.

  利用细菌菌株或其加工物微生物不对称还原2-甲基-3-氧代丁酸酯，高效且选择性地制备出(2R,3S)-3-羟基-2-甲基丁酸酯。
• Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions
  申请人：HITACHI, LTD.

  公开号：EP0341713A2

  公开（公告）日：1989-11-15

  The invention relates to optically active compounds represented by the general formula I wherein m, n, Ri, R2, R3. R4, Q1, Q2, Q3, and M are defined as in the specification, methods and intermediates for their preparation, liquid crystal compositions comprising at least one optically active compound of formula I and their use in electrooptical display, switching and modulation devices.

  本发明涉及通式 I 所代表的光学活性化合物 其中m、n、Ri、R2、R3.R4、Q1、Q2、Q3 和 M 在说明书中的定义、制备它们的方法和中间体、包含至少一种式 I 的光学活性化合物的液晶组合物以及它们在光电显示、开关和调制装置中的用途。
• [EN] PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-HYDROXY-2-METHYLBUTYRATES
  申请人：TAKEDA CHEMICAL INDUSTRIES, LTD.

  公开号：WO1991009959A1

  公开（公告）日：1991-07-11

  (EN) A (2R, 3S)-3-hydroxy-2-methylbutyrate is efficiently and selectively produced by microbial asymmetric reduction of a 2-methyl-3-oxobutyrate with a bacterial strain or its processed material.(FR) L'invention se rapporte à (2R, 3S)-3-hydroxy-2-méthylbutyrate, qui est produit de façon efficace et sélective par réduction asymétrique microbienne d'un 2-méthyl-3-oxobutyrate au moyen d'une souche bactérienne ou de son constituant traité.

  (EN) 一种(2R, 3S)-3-羟基-2-甲基丁酸酯能够高效且选择性地通过微生物的不对称还原法生产，其原料为2-甲基-3-氧化丁酸，可利用细菌菌株或其处理产物来进行该过程。 (_FR) L'invention concerne (2R, 3S)-3-hydroxy-2-methylbutyrate, un composé produit de manière efficace et sélective par réduction asymétrique microbienne d'un 2-methyl-3-oxobutyrate au moyen d'une souche bactérienne ou de son matériau traité.
• Synthesis and Properties of Optically Active Phenoxypropionates Having Various Cores
  作者：Shin-Ichi Sugita、Susumu Toda、Tsutomu Teraji、Akio Murayama、Masahito Ishikawa

  DOI：10.1080/10587259308028787

  日期：1993.3

  Optically active phenoxypropionates having a variety of cores were synthesized and the effect of the different core structures on the spontaneous polarization (Ps) values was investigated. The results indicate that the core structure has a great influence on the Ps value and compound 3 in which a chiral group attached to the 5-phenyl side of the 2,5-diphenylpyrimidine core showed the largest Ps of 240 nC/cm2. The ability as a chiral dopant for ferroelectric liquid crystal (FLC) were also evaluated. It was found that compound 3 was the most interesting, because the doping of compound 3 induced large Ps and wide tilt angle and this FLC mixture showed short response time. Moreover, the Sc range of host liquid crystal mixture are slightly extended by doping of compound 3.