trans-4-n-octyl-cyclohexanecarboxylic acid | 38289-32-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: trans-4-n-octyl-cyclohexanecarboxylic acid
• 英文别名: trans-4-n-octylcyclohexanecarboxylic acid；4-octyl-trans-cyclohexanecarboxylic acid；trans-4-octylcyclohexanecarboxylic acid；trans-4-n-Octylcyclohexylcarbonic acid；trans-4-n-octylcyclohexane-carboxylic acid；trans-4-n-Octyl-cyclohexan-1-carbonsaeure
• CAS: 38289-32-6
• 化学式: C₁₅H₂₈O₂
• 分子量: 240.386
• InChiKey: VJWVLGWMZNFPGO-HDJSIYSDSA-N

物化性质

• 沸点：
  353.1±10.0 °C(Predicted)
• 密度：
  0.941±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.63
• 重原子数：
  17.0
• 可旋转键数：
  8.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  37.3
• 氢给体数：
  1.0
• 氢受体数：
  1.0

安全信息

• 海关编码：
  2916209090

反应信息

• 作为反应物：
  描述：

  trans-4-n-octyl-cyclohexanecarboxylic acid 在 氯化亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.5h， 生成 4-Octyl-cyclohexanecarboxylic acid 2-fluoro-4-heptyl-phenyl ester
  参考文献：
  名称：

  Gray, G. W.; Hogg, C.; Lacey, D., Molecular Crystals and Liquid Crystals (1969-1991), 1981, vol. 67, p. 1 - 24

  摘要：

  DOI：
• 作为产物：
  描述：

  4-正辛基苯甲酸 在 platinum(IV) oxide 氢气 作用下， 以 溶剂黄146 为溶剂， 生成 trans-4-n-octyl-cyclohexanecarboxylic acid 、 cis-4-octylcyclohexanecarboxylic acid
  参考文献：
  名称：

  Fragmentation of the chain in the mass spectra of the pyrrolidides of alkylcyclohexanecarboxylic acids

  摘要：

  AbstractThe electron impact mass spectra of the pyrrolidides of both the cis‐ and trans‐octylcyclohexanecarboxylic acids show the structure of the aliphatic chain, despite the steric hindrance of a direct H transfer from the chain to the functional group.

  DOI：

  10.1002/oms.1210210208

文献信息

• Designing banana-shaped liquid crystals without Schiff's base units: m-terphenyls, 2,6-diphenylpyridines and V-shaped tolane derivatives
  作者：Dong Shen、Siegmar Diele、Gerhard Pelzl、Ina Wirth、Carsten Tschierske

  DOI：10.1039/a808275h

  日期：——

  This paper reports attempts to obtain (anti)ferroelectric switchable achiral banana-shaped molecules without Schiff's base units. For this purpose we have synthesized novel V-shaped molecules consisting of rigid angular central units [1,3-disubstituted benzene, 2,7-disubstituted naphthalene, 1,3-diphenylbenzene, 2,6-diphenylnitrobenzene, 2,6-diphenylpyridine, 1,3-bis(phenylethynyl)benzene, 1-phenyl-3-(phenylethynyl)benzene] connected via ester linkages to two rigid cores (1,4-disubstituted benzenes, biphenyls, 2-phenylpyrimidines, phenylbenzoates). Most compounds have rather high melting points. Only molecules with seven aromatic rings show liquid crystalline properties. Two-dimensional modulated smectic phases (rectangular columnar phases) were found for molecules with phenylbenzoate rigid units. Intercalated fluid smectic phases were detected for the corresponding 2-phenylpyrimidine derivatives. For the first time in the case of banana-shaped molecules a nematic phase was observed for a 2′-nitro-m-terphenyl-4,4″-diyl bisbenzoate. However, none of the synthesized compounds exhibit the typical texture of the (anti)ferroelectric switchable mesophases, known from the Schiff's base derivatives.

  这篇论文报告了在没有施夫碱单元的情况下，获得可切换的反铁电和铁电非手性香蕉形状分子的尝试。为此，我们合成了新型的V形分子，这些分子由刚性角形中心单元（1,3-二取代苯、2,7-二取代萘、1,3-二苯基苯、2,6-二苯基硝基苯、2,6-二苯基吡啶、1,3-双（苯乙炔）苯、1-苯基-3-（苯乙炔）苯）通过酯连接物连接至两个刚性核心（1,4-二取代苯、联苯、2-苯基吡啶、苯基苯甲酸酯）。大多数化合物的熔点相当高。只有七个芳香环的分子显示出液晶特性。具有苯基苯甲酸酯刚性单元的分子观察到二维调制的层状相（矩形柱状相）。相应的2-苯基吡啶衍生物检测到了夹层流体层状相。在香蕉形状分子的情况下，首次观察到2′-硝基-m-三苯基-4,4″-二苯甲酸酯的涡旋相。然而，合成的化合物中没有任何显示出施夫碱衍生物所知的典型（反）铁电可切换介相的纹理。
• Optically active mesomorphic compound and liquid crystal composition
  申请人：Canon Kabushiki Kaisha

  公开号：US04917821A1

  公开（公告）日：1990-04-17

  An optically active mesomorphic compound represented by the formula: ##STR1## wherein R.sub.1 denotes an alkyl group having 1-16 carbon atoms; R.sub.2 denotes an alkyl group having 1-18 carbon atoms; C* is an asymmetric carbon atom; X is an oxygen atom or sulfur atom; and n is 0 or 1. The optically active mesomorphic compound, when included as a component, provides a ferro-electric liquid crystal composition showing an improved field response characteristic.

  一种具有光学活性的介向化合物，其化学式为：##STR1## 其中，R.sub.1表示具有1-16个碳原子的烷基基团；R.sub.2表示具有1-18个碳原子的烷基基团；C*表示一个不对称的碳原子；X表示氧原子或硫原子；n为0或1。当将该具有光学活性的介向化合物作为组分包含在内时，可以提供一种具有改善场响应特性的铁电液晶组合物。
• Optically active mesomorphic compound and liquid crystal composition containing same
  申请人：CANON KABUSHIKI KAISHA

  公开号：EP0315958A2

  公开（公告）日：1989-05-17

  An optically active mesomorphic compound represented by the formula: wherein R₁ denotes an alkyl group having 1 - 16 carbon atoms; R₂ denotes an alkyl group having 1 - 18 carbon atoms; C* is an asymmetric carbon atom; X is an oxygen atom or sulfur atom; and n is 0 or 1. The optically active mesomorphic compound, when included as a component, provides a ferro­electric liquid crystal composition showing an improved field response characteristic.

  一种光学活性介形化合物，由式表示： 其中 R₁ 表示具有 1 - 16 个碳原子的烷基；R₂ 表示具有 1 - 18 个碳原子的烷基；C* 是不对称碳原子；X 是氧原子或硫原子；n 是 0 或 1。光学活性介形化合物作为一种成分，可提供一种铁电液晶组合物，显示出更好的场响应特性。
• Epimerization of 2- or 4-substituted cyclohexanecarboxylic acids
  申请人：KATAYAMA SEIYAKUSYO CO. Ltd.

  公开号：EP0814073A1

  公开（公告）日：1997-12-29

  The present invention relates to a new method for obtaining a purity of about 93 % to 100 % of the trans form of 2- or 4-substituted cyclohexanecarboxylic acid or reactive derivatives thereof from the cis form or a mixture of the cis and trans forms by a single step, particularly, to a method for obtaining a purity of substantially 100 % of the trans form of 4-substituted cyclohexanecarboxylic acid.

  本发明涉及一种从顺式或顺式和反式的混合物中一步获得纯度约为 93 % 至 100 % 的反式 2-或 4-取代环己烷羧酸或其反应衍生物的新方法，特别是涉及一种获得纯度基本为 100 % 的反式 4-取代环己烷羧酸的方法。
• Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof
  申请人：Enanta Pharmaceuticals, Inc.

  公开号：US10597391B2

  公开（公告）日：2020-03-24

  The present invention provides compounds of Formula I, Pharmaceutically acceptable salts thereof, pharmaceutical compositions comprising these compounds and methods of using these compounds to prevent or treat FXR-mediated or TGR5-mediated diseases or conditions.

  本发明提供了式 I 的化合物、 其药学上可接受的盐、包含这些化合物的药物组合物以及使用这些化合物预防或治疗 FXR 介导或 TGR5 介导的疾病或病症的方法。