2-[4'-(4-pentyl-3-cyclohexencarbonyloxy)-phenyl]-5-decylpyrimidine | 155468-63-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 2-[4'-(4-pentyl-3-cyclohexencarbonyloxy)-phenyl]-5-decylpyrimidine
• 英文别名: 2-{4'-[(4-Pentyl-3-cyclohexenyl)-carbonyloxy]-phenyl)-5-decylpyrimidine；[4-(5-decylpyrimidin-2-yl)phenyl] 4-pentylcyclohex-3-ene-1-carboxylate
• CAS: 155468-63-6
• 化学式: C₃₂H₄₆N₂O₂
• 分子量: 490.729
• InChiKey: VIYOQIXYUHASMI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.2
• 重原子数：
  36
• 可旋转键数：
  17
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  52.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  氯甲烷 、 5-Decyl-2-(p-hydroxyphenyl)pyrimidine 在 三乙胺 作用下， 以 正己烷 、 乙酸乙酯 为溶剂， 生成 2-[4'-(4-pentyl-3-cyclohexencarbonyloxy)-phenyl]-5-decylpyrimidine
  参考文献：
  名称：

  Ferroelectric liquid crystal compounds with cyclohexenyl cores and

  摘要：

  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。

  公开号：

  US05271864A1
• 作为试剂：
  描述：

  四氢呋喃 、 、 5-Decyl-2-(p-hydroxyphenyl)pyrimidine 、 盐酸 在 2-[4'-(4-pentyl-3-cyclohexencarbonyloxy)-phenyl]-5-decylpyrimidine 、 乙酸乙酯 、 氯化钠 、 Sodium sulfate-III 、 乙腈 作用下， 以 三乙胺 为溶剂， 反应 1.0h， 以to produce the product, 2-{4'-[(4-pentyl-3-cyclohexenyl)-carbonyloxy]-phenyl)-5-decylpyrimidine的产率得到2-[4'-(4-pentyl-3-cyclohexencarbonyloxy)-phenyl]-5-decylpyrimidine
  参考文献：
  名称：

  Ferroelectric liquid crystal compounds with cyclohexenyl cores and

  摘要：

  本发明提供了含有环己烯基衍生物的铁电液晶化合物和组合物。具体提供的化合物为式：##STR1##其中R.sub.1和R.sub.2可以是具有1到约20个碳原子的烷基，环烷基，烯基，烷氧基，硫代烷基，烷基硅基团。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，卤代苯环和含氮芳香族基团的群中选择。在优选实施例中，本发明的化合物含有至少一个含氮芳香环。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，3,6-吡嗪噻唑和1,4-环己基中选择，可以是手性的外消旋群或手性的非外消旋群。

  公开号：

  US05271864A1

文献信息

• 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。
• US5271864A
  申请人：——

  公开号：US5271864A

  公开（公告）日：1993-12-21
• US6413448B1
  申请人：——

  公开号：US6413448B1

  公开（公告）日：2002-07-02
• [EN] CYCLOHEXYL- AND CYCLOHEXENYL-SUBSTITUTED LIQUID CRYSTALS WITH LOW BIREFRINGENCE<br/>[FR] CRISTAUX LIQUIDES A SUBSTITUTION CYCLOHEXYLE- ET CYCLOHEXENYLE DOTES D'UNE BIREFRINGENCE FAIBLE
  申请人：DISPLAYTECH INC

  公开号：WO2000065801A1

  公开（公告）日：2000-11-02

  This invention provides compounds of formula R1-Ar-R2 wherein R1 and R2, independently of one another, are selected from the group consisting of alkyl, cycloalkyl, alkenyl, cycloalkenyl, alkynyl, alkoxy, thioalkyl, thioether and ether groups having from 1 to about 20 carbon atoms, wherein one or more -CH2- groups in R1 and R2 may be independently replaced with a member of the group consisting of O, S, -CH2O-, -OCH2-, -COO-, -OOC-, -CH2S-, -SCH2-, -COS-, -SCO-, a double bond, a triple bond, and an alkyl silyl group, Si(Re)(Rf), in which Re and Rf, independently of one another, are small akyl or alkenyl groups having from about 1 to about 8 carbon atoms, said R1 or R2, independently of one another, can be partially or fully halogenated, and said R1 or R2, independently of one another , can be internally or terminally branched; Ar is a ring core moiety of general formula (I) wherein Cyc is a cyclohexyl ring or a cyclohexenyl ring, which may be optionally substituted with members selected from the group consisting of halogen atoms, methyl groups, trifluoromethyl groups, cyano groups, methoxy groups, and trifluoromethoxy groups; RX, RY and RZ, independently of one another, are aromatic or non-aromatic rings which are selected from the group consisting of 1,4-phenyl, 2,5-pyridinyl, 2,5-pyrimidinyl, 2,5-pyrazinyl, 3,6-pyridazinyl, 2,5-dithiazolyl, 1,4-cyclohexyl, 1-4-cyclohex-2-enyl, and 1,4-cyclohexenyl rings, wherein any hydrogen in RX, RY and RZ may optionally be substituted with a halogen atom; wherein x, y, z are, independently of one another, 0, 1, or 2 such that x+y+z=1, 2, or 3; wherein A, B and D, independently of one another, are linkers selected from the group -(CH2)w-, wherein w is 0 to about 8, and wherein one or more -CH2- groups in A, B or D may be independently replaced with a member selected from the group consisting of O, S, -CH2O-, -OCH2-, -COO-, -OOC-, -CH2S-, -SCH2-, -COS-, -SCO-, a double bond, a triple bond, and an alkyl silyl group, Si(Re)(Rf), in which Re and Rf, independently of one another, are small alkyl or alkenyl groups having from about 1 to about 8 carbon atoms; wherein a, b, d, independently of one another, are 0 or 1, such that a+b+d=1,2,or 3.
• 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。