(R)-(+)-4-benzyloxybenzoic acid 1-trifluoromethylheptyl ester | 121170-46-5

• 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: (R)-(+)-4-benzyloxybenzoic acid 1-trifluoromethylheptyl ester
• 英文别名: [R]-1-trifluoromethylheptyl 4-benzyloxybenzoate；4-benzyloxybenzoic acid R-1'-trifluoromethylheptyl ester；(R)-(+)-1,1,1-trifluoro-2-octyl 4-benzyloxybenzoate；1-trifluoromethylheptyl R-4-benzyloxybenzoate；[(2R)-1,1,1-trifluorooctan-2-yl] 4-phenylmethoxybenzoate
• CAS: 121170-46-5
• 化学式: C₂₂H₂₅F₃O₃
• 分子量: 394.434
• InChiKey: KKAZXWLDBFAZSV-HXUWFJFHSA-N

物化性质

• 沸点：
  448.7±45.0 °C(Predicted)
• 密度：
  1.145±0.06 g/cm3(Predicted)

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：

  (R)-(+)-4-benzyloxybenzoic acid 1-trifluoromethylheptyl ester 在 palladium on activated charcoal 三乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Suzuki; Koide; Aihara, Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals, 2001, vol. 351, p. 351 - 360

  摘要：

  DOI：
• 作为产物：
  描述：

  4-苯甲氧基苯(甲)酰氯 、 (R)-(+)-1,1,1-三氟-2-辛醇 在 TEA 作用下， 以 二氯甲烷 为溶剂， 生成 (R)-(+)-4-benzyloxybenzoic acid 1-trifluoromethylheptyl ester
  参考文献：
  名称：

  Suzuki; Koide; Aihara, Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals, 2001, vol. 351, p. 351 - 360

  摘要：

  DOI：

文献信息

• Partially fluorinated liquid crystal material
  申请人：——

  公开号：US20030017278A1

  公开（公告）日：2003-01-23

  The invention provides LC compositions that exhibit V-shaped switching when aligned in an analog device configuration and exhibit bistability when aligned in a bookshelf-type device configuration. The invention more specifically provides LC compositions of formula 1 and particularly chiral nonracemic compounds of formula 1 which exhibit bistable switching as well as V-shaped switching when aligned in appropriate device configurations. The invention also provides methods of using the compounds of the invention in making LC compositions and electooptical devices comprising an aligned layer of the compositions of this invention.

  该发明提供了LC组合物，当在类比设备配置中对齐时表现出V形开关，并且当在书架型设备配置中对齐时表现出双稳性。该发明更具体地提供了公式1的LC组合物，特别是公式1的手性非消旋化合物，当在适当的设备配置中对齐时表现出双稳性开关以及V形开关。该发明还提供了使用该发明中的化合物制备LC组合物和包括本发明组合物的对齐层的电光器件的方法。
• Carboxylic acid ester compound, liquid crystal material, liquid crystal
  申请人：Mitsui Petrochemical Industries, Ltd.

  公开号：US05322639A1

  公开（公告）日：1994-06-21

  The carboxylic acid ester compound of the invention is represented by the following formula [I]: ##STR1## wherein R is an alkyl group of 3-20 carbon atoms; n is 0 or 1; at least one of A.sup.1, A.sup.2 and A.sup.3 is a group having tetralin structure, and the residual groups of A.sup.1, A.sup.2 and A.sup.3 are each independently a group having specific aromatic cyclic structure such as a phenylene group and a biphenyl group; Y.sup.1 and Y.sup.2 are each independently a group selected from the group consisting of --COO--, --CH.sub.2 CH.sub.2 -- and --CH.sub.2 O--; Q.sup.1 is a group selected from the group consisting of --CH.sub.3, --CF.sub.3, --C.sub.2 H.sub.5 and --C.sub.2 F.sub.5 ; and q is an integer of 4 to 12. This carboxylic acid ester compound may be used as an antiferroelectric liquid crystal material, and also be used as a liquid crystal composition by using other liquid crystal material in combination. A liquid crystal element which is formed by filling the carboxylic acid ester compound in a gap between two substrates opposite to each other shows excellent properties required for antiferroelectric liquid crystal elements, for example, high speed switching.

  该发明的羧酸酯化合物由以下公式[I]表示：其中R是3-20个碳原子的烷基基团；n为0或1；A.sup.1，A.sup.2和A.sup.3中至少一个是具有四氢萘结构的基团，A.sup.1，A.sup.2和A.sup.3的剩余基团分别独立地为具有特定芳香环结构的基团，如苯基和联苯基；Y.sup.1和Y.sup.2分别独立地为选自--COO--，--CH.sub.2 CH.sub.2--和--CH.sub.2 O--的基团；Q.sup.1是选自--CH.sub.3，--CF.sub.3，--C.sub.2 H.sub.5和--C.sub.2 F.sub.5的基团；q为4到12的整数。该羧酸酯化合物可用作反铁电液晶材料，并且可以通过与其他液晶材料组合使用作为液晶组分。通过在两个互相对立的基板之间填充羧酸酯化合物形成的液晶元件显示出反铁电液晶元件所需的优异性能，例如高速切换。
• Carboxylate compounds, liquid crystal compositions containing said
  申请人：Mitsui Petrochemical Industries, Ltd.

  公开号：US05294366A1

  公开（公告）日：1994-03-15

  In accordance with the present invention, there are provided carboxylate compounds and liquid compositions thereof represented by the following formula (A) ##STR1## wherein R.sup.1 represents one group selected from the group consisting of alkyl group having 6 to 18 carbon atoms, alkoxy group having 6 to 18 carbon atoms and halogenated alkyl group of 6 to 18 carbon atoms, C* represents an asymmetric carbon atom, and R.sup.2 represents a group represented by the following formula (A)--(CH.sub.2).sub.m --CH.sub.3 or (B)--(CH.sub.2).sub.n --COOR.sub.3 wherein m represents an integer of 2 to 6, n represents an integer of 0 to 5, and R.sup.3 represents alkyl group having 1 to 10 carbon atoms.

  根据本发明，提供了由以下式（A）表示的羧酸盐化合物和液体组合物： 其中R^1代表从以下群组中选择的一个群组，包括具有6到18个碳原子的烷基基团，具有6到18个碳原子的烷氧基团和具有6到18个碳原子的卤代烷基基团，C*代表一个不对称碳原子，R^2代表由以下式（A）-（CH2）m-CH3或（B）-（CH2）n-COOR3表示的一个群组，其中m表示2到6的整数，n表示0到5的整数，R^3表示具有1到10个碳原子的烷基基团。
• Liquid crystal compounds
  申请人：Showa Shell Sekiyu K.K.

  公开号：US05424005A1

  公开（公告）日：1995-06-13

  A composition of (R)-isomer and (S)-isomer of a liquid crystal compound represented by the formula; ##STR1## wherein X represents --O-- or a direct bond, Z represents a halogen-substituted alkyl group selected from a group consisting of --CF.sub.3, --CHF.sub.2, --CH.sub.2 F, --C.sub.2 F.sub.5, --CClF.sub.2, -CCl.sub.2 F, --CCl.sub.2 CF.sub.3, and --C.sub.3 F.sub.7, m represents an integer of from 1 to 20, n represents an integer of from 1 to 20, and * represents an asymmetric carbon, and the optical purity of said composition is high enough to exhibit optically tristable states in S*(3) phase when electric voltage is applied.

  由式子表示的液晶化合物的(R)-异构体和(S)-异构体的组合；其中X代表--O--或直接键，Z代表从--CF.sub.3，--CHF.sub.2，--CH.sub.2 F，--C.sub.2 F.sub.5，--CClF.sub.2，-CCl.sub.2 F，--CCl.sub.2 CF.sub.3和--C.sub.3 F.sub.7的卤代烷基组成的选择组，m表示1到20的整数，n表示1到20的整数，*代表不对称碳，且所述组合的光学纯度足够高，当施加电压时在S*(3)相中表现出光学三稳态。
• Component for liquid crystal composition and liquid crystal composition
  申请人：Showa Shell Sekiyu K.K.

  公开号：US05110497A1

  公开（公告）日：1992-05-05

  An optically active compound represent by formula (I): ##STR1## wherein R.sub.1 represents a fluoroalkyl group having from 1 to 18 carbon atoms; R.sub.2 represents an alkyl group having from 1 to 16 carbon atoms and an aralkyl group having from 6 to 16 carbon atoms; R.sub.3 represents C.sub.2 F.sub.5, CF.sub.3, CHF.sub.2, or CH.sub.2 F; X represents a single bond, --O--, --COO--, or --OCO--; Y represents --COO--, --OCO--, --CH.sub.2 O--, or --OCH.sub.2 --; Z represents --COO-- or --O--; (A) and (B) each represent a cyclic group; and * indicates an optically active center, and a liquid crystal composition containing at least one of said optically active compounds are disclosed. The compound is useful not only as a liquid crystal compound but as a chiral dopant to provide a liquid crystal composition exhibiting a chiral smectic phase.

  公式（I）代表的光学活性化合物：##STR1##其中，R.sub.1代表具有1至18个碳原子的氟烷基；R.sub.2代表具有1至16个碳原子的烷基和具有6至16个碳原子的芳基烷基；R.sub.3代表C.sub.2 F.sub.5，CF.sub.3，CHF.sub.2或CH.sub.2 F；X代表单键，--O--，--COO--或--OCO--；Y代表--COO--，--OCO--，--CH.sub.2 O--或--OCH.sub.2--；Z代表--COO--或--O--；（A）和（B）各代表一个环状基团；*表示光学活性中心，以及含有至少一种所述光学活性化合物的液晶组合物。该化合物不仅可用作液晶化合物，还可用作手性掺杂剂，以提供呈现手性亚相的液晶组合物。