1,1,1-trifluoro-2-octyl 4-benzyloxybenzoate | 124015-10-7

• 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: 1,1,1-trifluoro-2-octyl 4-benzyloxybenzoate
• 英文别名: 1-trifluoromethylheptyl 4-benzyloxybenzoate；Benzoic acid, 4-(phenylmethoxy)-, 1-(trifluoromethyl)heptyl ester；1,1,1-trifluorooctan-2-yl 4-phenylmethoxybenzoate
• CAS: 124015-10-7
• 化学式: C₂₂H₂₅F₃O₃
• 分子量: 394.434
• InChiKey: KKAZXWLDBFAZSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  28
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,1,1-trifluoro-2-octyl 4-benzyloxybenzoate 在 palladium-carbon 氢气 、 palladium-carbon 作用下， 以 乙醇 为溶剂， 以to obtain 1.4 g of the objective compound的产率得到1,1,1-trifluoro-2-octyl 4-hydroxybenzoate
  参考文献：
  名称：

  Antiferroelectric liquid crystal compound and liquid crystal composition

  摘要：

  以下是通式（I）所代表的反铁电液晶化合物：##STR1## 其中，R.sup.1和R.sup.2各自独立地选自具有3至18个碳原子的烷基，Rf是较低的烷基或氟代较低的烷基，(A)和(B)各自独立地选自1,4-苯撑基，4,4'-联苯基和2,6-萘基，它们可以至少被一个卤素原子取代，*表示不对称碳原子。

  公开号：

  US05346648A1
• 作为产物：
  描述：

  4-苯甲氧基苯(甲)酰氯 在 2-二甲氨基吡啶 sodium carbonate 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 1,1,1-trifluoro-2-octyl 4-benzyloxybenzoate
  参考文献：
  名称：

  Liquid crystal compound

  摘要：

  公开号：

  EP0435240B1

文献信息

• Liquid crystal compounds
  申请人：Showa Shell Sekiyu K.K.

  公开号：US05204020A1

  公开（公告）日：1993-04-20

  Liquid crystal compounds represented by the formula; ##STR1## in which Ra means an alkyl group of 1-20 carbon atoms or an alkoxy group of 1-20 carbon atoms; Rb means an aliphatic alkyl group, a branched alkyl group or an aralkyl group respectively of 1-20 carbon atoms, an alkoxy group of 1-20 carbon atoms, or an alkanoyl methyl group having 1-20 carbon atoms in the alkyl; ##STR2## Z means a fluorinated alkyl or a fluorinated haloalkyl; m is an integer of from 1 to 3; n is an integer of from 0 to 2 where when n is 0, Y is a single bond; and * shows an optically active center, which have a larger spontaneous polarization, high speed of response and good orientation, and show tristable liquid crystal phase.

  该化合物的液晶化合物的化学式为;##STR1## 其中Ra表示碳原子数为1-20的烷基或1-20的烷氧基; Rb分别表示碳原子数为1-20的脂肪烷基、支链烷基或芳基烷基、1-20的烷氧基或在烷基中具有1-20个碳原子的烷酰甲基; ##STR2## Z表示氟化烷基或氟化卤代烷基; m为1至3的整数; n为0至2的整数，当n为0时，Y为单键; *表示具有较大的自发极化、高响应速度和良好取向性，并显示三态液晶相的光学活性中心。
• Antiferroelectric liquid crystal compound and liquid crystal composition
  申请人：Showa Shell Sekiyu Kabushiki Kaisha

  公开号：US05346648A1

  公开（公告）日：1994-09-13

  An antiferroelectric liquid crystal compound represented by the following general formula (I): ##STR1## wherein R.sup.1 and R.sup.2 are each independently selected from the group consisting of alkyl groups having from 3 to 18 carbon atoms, Rf is a lower alkyl group or a fluorinated lower alkyl group, (A) and (B) are each independently selected from the group consisting of 1,4-phenylene, 4,4'-biphenylene, and 2,6-naphthalene which may be substituted at least with a halogen atom, and * shows an asymmetric carbon atom.

  以下是通式（I）所代表的反铁电液晶化合物： 其中，R1和R2各自独立地选自具有3至18个碳原子的烷基，Rf是较低的烷基或氟代较低的烷基，（A）和（B）各自独立地选自1,4-苯撑基，4,4'-联苯基和2,6-萘基，它们可以至少被一个卤素原子取代，*表示一个不对称的碳原子。
• Dioxane liquid crystal compounds
  申请人：Showa Shell Sekiyu K.K.

  公开号：US05171471A1

  公开（公告）日：1992-12-15

  Novel ferroelectric and antiferroelectric liquid crystal compounds of the invention, which comprise those showing optically tristable states in phase S*.sub.(3), have a wide range of phase transition temperature so as to be not only preferably used solely as display element material but also mixed with any other liquid crystal to desiredly expand the above range wider and make optical response time faster. Typical compounds are represented by ##STR1## in which Z means CF.sub.3, C.sub.2 F.sub.5, CHF.sub.2, CH.sub.2 F, CClF.sub.2, CCl.sub.2 F, CF.sub.3 CCl.sub.2 or C.sub.3 F.sub.7, m' and n' are same or different with each other and each is an integer of 1-20.

  本发明的新型铁电和反铁电液晶化合物，在S*.sub.(3)相中表现出光学三态稳定状态，具有广泛的相变温度范围，因此不仅可以作为显示元素材料单独使用，还可以与任何其他液晶混合，以期望扩展上述范围并使光学响应时间更快。典型的化合物由##STR1##所代表，其中Z表示CF.sub.3，C.sub.2 F.sub.5，CHF.sub.2，CH.sub.2 F，CClF.sub.2，CCl.sub.2 F，CF.sub.3 CCl.sub.2或C.sub.3 F.sub.7，m'和n'相同或不同，均为1-20的整数。
• Carboxylate compounds, liquid crystal compositions containing said compounds and liquid crystal element
  申请人：MITSUI PETROCHEMICAL INDUSTRIES, LTD.

  公开号：EP0413585A1

  公开（公告）日：1991-02-20

  Compounds of the following formula [A] are disclosed wherein R¹ is a C₆ - C₁₈ alkyl group, a C₆ - C₁₈ alkoxy group or a halogenated C₆ - C₁₈ alkyl group; C* is an asymmetric carbon atom and R² is a group of the following formula [B] or [C] -(CH₂)m-CH₃      [B] -(CH₂)n-COOR₃      [C] wherein m is an integer of 2 to 6, n is an integer of 0 to 5 and R³ is an optionally halogenated C₁ - C₁₀ alkyl group. These compounds have utility in liquid crystal materials. A liquid crystal composition and liquid crystal element are therefore also disclosed.

  公开了下式[A]的化合物 公开了其中 R¹ 是 C₆ - C₁₈ 烷基、C₆ - C₁₈ 烷氧基或卤代 C₆ - C₁₈ 烷基；C* 是不对称碳原子且 R² 是下式 [B] 或 [C] 的基团 -(CH₂)m-CH₃[B］ -(CH₂)n-COOR₃［C］ 其中 m 为 2-6 的整数，n 为 0-5 的整数，R³ 为任选卤代 C₁ - C₁₀ 烷基。 这些化合物可用于液晶材料。因此还公开了一种液晶组合物和液晶元件。
• Liquid crystal monomeric compound and liquid crystal polymer compound modified therewith
  申请人：Showa Shell Sekiyu Kabushiki Kaisha

  公开号：EP0571276A1

  公开（公告）日：1993-11-24

  The present invention is to provide a liquid crystal monomeric compound where a liquid crystal phase readily appears, which is excellent in alignment control, film-formability, durability, heat-stability and compatibility, and is able to be applied to electro-optical liquid crystal elements and recording elements; and a side-chain liquid crystal polymer compound modified with such a monomeric compound. The liquid crystal monomeric compound is represented by the following formula:         CH₂=CH-(CH₂)m-R   [1] wherein m is an integer of 2 to 20 and R is a group selected from the group consisting of wherein p is 1 or 2, Rf is CF₃ or C₂F₅, R¹ is an alkyl group having 3 - 18 carbon atoms, * means an optically active carbon atom, (A) and (B) each is a group independently selected from the group consisting of which may be substituted with one or more halogen atoms, and X is -O-, -COO- or a direct linkage, and wherein p, Rf, R¹, (A), (B), X and * have the same meanings as above.

  本发明旨在提供一种容易出现液晶相的液晶单体化合物，它在对准控制、成膜性、耐久性、热稳定性和兼容性方面都非常出色，能够应用于电子光学液晶元件和记录元件；以及一种用这种单体化合物改性的侧链液晶聚合物化合物。 液晶单体化合物用下式表示： CH₂=CH-(CH₂)m-R [1]. 其中 m 是 2 至 20 的整数，R 是选自以下组成的基团 其中 p 是 1 或 2，Rf 是 CF₃ 或 C₂F₅，R¹ 是具有 3 - 18 个碳原子的烷基，* 指光学活性碳原子，(A)和(B)各自是独立选自以下组的基团 可被一个或多个卤素原子取代，X 为-O-、-COO- 或直接连接，以及 其中 p、Rf、R¹、(A)、(B)、X 和 * 的含义同上。