4-(5'-octyl-2'-pyrimidyl)-benzoyl chloride | 123020-92-8

• 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-(5'-octyl-2'-pyrimidyl)-benzoyl chloride
• 英文别名: 4-(5-octyl-2-pyrimidinyl)benzoic acid chloride；4-(5-octylpyrimidin-2-yl)benzoyl chloride
• CAS: 123020-92-8
• 化学式: C₁₉H₂₃ClN₂O
• 分子量: 330.857
• InChiKey: PYLNYFVCHJNKLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  23
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  42.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,6-Anhydro-3,4,7-tridesoxy-L-ribo-hept-3-enononitril 、 4-(5'-octyl-2'-pyrimidyl)-benzoyl chloride 在 吡啶 作用下， 生成
  参考文献：
  名称：

  Vill, V.; Bachmann, F.; Thiem, J., Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals, 1992, vol. 213, p. 57 - 66

  摘要：

  DOI：
• 作为产物：
  描述：

  4-(5-octyl-pyrimidin-2-yl)-benzoic acid 在 吡啶 、 氯化亚砜 作用下， 生成 4-(5'-octyl-2'-pyrimidyl)-benzoyl chloride
  参考文献：
  名称：

  Vill, V.; Bachmann, F.; Thiem, J., Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals, 1992, vol. 213, p. 57 - 66

  摘要：

  DOI：

文献信息

• Ferroelectric liquid crystal compounds with cyclohexenyl cores and
  申请人：Displaytech, Inc.

  公开号：US05271864A1

  公开（公告）日：1993-12-21

  Ferroelectric liquid crystal compounds and compositions containing cyclohexenyl derivatives are provided. Specifically provided are compounds of formula: ##STR1## wherein R.sub.1 and R.sub.2 can be an alkyl, cycloalkyl, alkenyl, alkoxy, thioalkyl, alkylsilyl group having from one to about twenty carbon atoms. Y denotes --COO--, --OOC--, --CH.sub.2 O--, or --OCH.sub.2 --; and Ar.sub.1 and Ar.sub.2, independently of one another, can be selected from the group consisting of phenyl rings, halogenated phenyl rings and nitrogen-containing aromatic groups. In preferred embodiments the compounds of this invention contain at least one nitrogen-containing aromatic ring. Ar.sub.1 and Ar.sub.2 can be selected from 1,4-phenyl, mono- or dihalogenated 1,4-phenyl, 2,5-pyridinyl, 2,5-pyrimidyl, 2,5-pyrazinyl, 2,5-thiadiazole, 3,6-pyridazinyl and 1,4-cyclohexyl either or both be chiral racemic groups or chiral nonracemic groups.

  提供了含有环己烯衍生物的铁电液晶化合物和组合物。具体提供的是以下式的化合物：其中R.sub.1和R.sub.2可以是具有一到约二十个碳原子的烷基、环烷基、烯基、烷氧基、硫代烷基、烷基硅基基团。Y表示--COO--、--OOC--、--CH.sub.2 O--或--OCH.sub.2 --；Ar.sub.1和Ar.sub.2彼此独立地可以从苯环、卤代苯环和含氮芳基组成的群中选择。在本发明的优选实施例中，这些化合物至少含有一个含氮芳香环。Ar.sub.1和Ar.sub.2可以从1,4-苯基、单卤代或双卤代1,4-苯基、2,5-吡啶基、2,5-嘧啶基、2,5-吡嗪基、2,5-噻二唑基、3,6-吡啶并吡嗪基和1,4-环己基中选择，其中一个或两个可以是手性的外消旋群或手性的非外消旋群。
• Optically active compound and chiral liquid crystal composition
  申请人：Nippon Telegraph and Telephone Corporation

  公开号：US05059345A1

  公开（公告）日：1991-10-22

  An optically active compound represented by the general formula (I) of: R--Z--COO--(Ph).sub.k --Ph(Y)--CO--(CH.sub.2).sub.m C*HE L (1) In the general formula (I); R is an alkyl or alkoxy group having 4 to 22 carbon atoms; Z is the one selected from the group consisting of --Ph--, --Ph(X)--, --Ph--Ph--, Ph(X)--Ph--, --Ph--cy--, --Ph(X)--cy-- and --py--Ph-- is a 1,4-substituted phenylene group; --Ph--Ph-- is a 4,4'-substituted diphenylene group; --cy-- is a trans-1,4-cyclohexane group, --py is 2,5-substituted pyrimide group; X is a halogen atom at the ortho-position to R; k is zero or 1, Y is the one selected from the group consisting of H, OH, halogen atoms and methyl group; C* is an asymmetric carbon atom; E is the one selected from the group consisting of methyl group, halogen atoms and CF.sub.3 ; L is an alkyl, aryl or aralkyl group having not more than 10 carbon atoms; and m is an integer of zero to 6 where m takes zero when Y is H and Z is --Ph-- or --Ph--Ph--. The optically active compound is usable as an ingredient for a liquid crystal composition which has high spontaneous polarization, exhibits the Sc* phase (chiral smectic C liquid crystalline phase) in a wide temperature range and high speed response.

  通用公式（I）表示的具有光学活性的化合物为：R--Z--COO--(Ph).sub.k --Ph(Y)--CO--(CH.sub.2).sub.m C*HE L（1）。在通用公式（I）中；R是具有4到22个碳原子的烷基或烷氧基；Z是从--Ph--，--Ph(X)--，--Ph--Ph--，Ph(X)--Ph--，--Ph--cy--，--Ph(X)--cy--和--py--Ph--组成的组中选择的一个，其中--Ph--是1,4-取代苯基；--Ph--Ph--是4,4'-取代二苯基基团；--cy--是反-1,4-环己烷基团，--py是2,5-取代嘧啶基团；X是在R的邻位上的卤原子；k为零或1，Y是从H，OH，卤原子和甲基组成的组中选择的一个；C*是一个不对称碳原子；E是从甲基组，卤原子和CF.sub.3组成的组中选择的一个；L是具有不超过10个碳原子的烷基，芳基或芳基烷基；m是一个从零到6的整数，当Y为H且Z为--Ph--或--Ph--Ph--时，m取零。这种具有光学活性的化合物可用作具有高自发极化性的液晶组合物的成分，表现出在广泛温度范围内和高速响应中的Sc*相（手性各向异性C液晶相）。
• Alpha-hydroxyketone derivatives, liquid crystal compositions containing said derivatives, and liquid crystal devices using said compositions
  申请人：Chisso Corporation

  公开号：EP0409234A2

  公开（公告）日：1991-01-23

  α-hydroxyketone derivatives represented by the general formula (I) which are novel optically active compounds; liquid crystal compositions, such as chiral smectic or chiral nematic compositions, containing the derivatives; and liquid crystal devices using the compositions. General Formula (I) wherein A and B are independently a radical represented by the general formula (II): wherein R2 is an aliphatic hydrocarbon having 1 to 16 carbon atoms, which may contain -0- and may be substituted by a cyano group and/or a halogen atom, are independently a single bond, etc., X and Y are independently a single bond, or -CH2CH2-, etc., or an aliphatic hydrocarbon having 1 to 16 carbon atoms; R1 is an alkyl group, a phenyl group, or a cyclohexyl group; n is 0 or 1; and the asterisk (*) indicates an asymmetric carbon atom.

  由通式（I）代表的α-羟基酮衍生物，是新型光学活性化合物；含有该衍生物的液晶组合物，如手性硅胶组合物或手性向列型组合物；以及使用该组合物的液晶器件。通式 (I) 其中 A 和 B 独立地为通式 (II) 所代表的基团： 其中 R2 是具有 1 至 16 个碳原子的脂肪族烃，可含有 -0- 并可被氰基和/或卤素原子取代、 独立地为单键、 等，X 和 Y 独立地为单键或-CH2CH2-等，或为具有 1 至 16 个碳原子的脂肪烃；R1 为烷基、苯基或环己基；n 为 0 或 1；星号（*）表示不对称碳原子。
• Ferroelectric liquid crystal compounds with cyclohexenyl cores and compositions containing them
  申请人：DISPLAYTECH, INCORPORATED

  公开号：EP0582489A1

  公开（公告）日：1994-02-09

  Ferroelectric liquid crystal compounds and compositions containing cyclohexenyl derivatives are provided. Specifically provided are compounds of formula: wherein R₁ and R₂ can be an alkyl, cycloalkyl, alkenyl, alkoxy, thioalkyl, alkylsilyl group having from one to about twenty carbon atoms. Y denotes -COO-, -OOC-, -CH₂O-, or -OCH₂-; and Ar₁ and Ar₂, independently of one another, can be selected from the group consisting of phenyl rings, halogenated phenyl rings and nitrogen-containing aromatic groups. In preferred embodiments the compounds of this invention contain at least one nitrogen-containing aromatic ring. Ar₁ and Ar₂ can be selected from 1,4-phenyl, mono- or dihalogenated 1,4-phenyl, 2,5-pyridinyl, 2,5-pyrimidyl, 2,5-pyrazinyl, 2,5-thiadiazole, 3,6-pyridazinyl and 1,4-cyclohexyl either or both be chiral racemic groups or chiral nonracemic groups.

  提供了含有环己烯衍生物的铁电液晶化合物和组合物。具体提供了式中的化合物： 其中 R₁和 R₂可以是具有一到二十个碳原子的烷基、环烷基、烯基、烷氧基、硫代烷基、烷基硅基。Y表示-COO-、-OOC-、-CH₂O-或-OCH₂-；Ar₁和Ar₂可以彼此独立地选自由苯基环、卤代苯基环和含氮化合物组成的组。在优选的实施方案中，本发明的化合物含有至少一个含氮芳香环。Ar₁ 和 Ar₂ 可以选自 1,4-苯基、单卤代或二卤代 1,4-苯基、2,5-吡啶基、2,5-嘧啶基、2,5-吡嗪基、2,5-噻二唑基、3,6-哒嗪基和 1,4-环己基中的一个或两个手性外消旋基团或手性非外消旋基团。
• Optically active compound and chiral liquid crystal composition containing the same
  申请人：NIPPON TELEGRAPH AND TELEPHONE CORPORATION

  公开号：EP0315193B1

  公开（公告）日：1994-04-06