1-Bromo-3-fluoro-4-decyloxybenzene | 119828-40-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-Bromo-3-fluoro-4-decyloxybenzene
• 英文别名: 4-Bromo-2-fluorodecyloxybenzene；4-decyloxy-3-fluorophenyl bromide；4-n-decyloxy-3-fluorobromobenzene；3-fluoro-4-decyloxy-bromobenzene；3-fluoro-4-decyloxybromobenzene；4-bromo-1-decoxy-2-fluorobenzene
• CAS: 119828-40-9
• 化学式: C₁₆H₂₄BrFO
• 分子量: 331.268
• InChiKey: NSEVTLJIOWRDEU-UHFFFAOYSA-N

物化性质

• 沸点：
  366.3±22.0 °C(Predicted)
• 密度：
  1.173±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  19
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-Bromo-3-fluoro-4-decyloxybenzene 在 magnesium 、 溴丙烷 作用下， 反应 3.0h， 生成 4-Decyloxy-3-fluoro-thiobenzoic acid S-(4-pentyl-phenyl) ester
  参考文献：
  名称：

  Neubert, M. E.; Keast, S. S.; Dixon-Polverine, Y., Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals, 1994, vol. 250, p. 109 - 124

  摘要：

  DOI：
• 作为产物：
  描述：

  4-正辛氧基溴苯 以45.4%的产率得到1-Bromo-3-fluoro-4-decyloxybenzene
  参考文献：
  名称：

  Cyclobutanecarboxylic acid derivatives and liquid crystalline

  摘要：

  一种光学上不活性的环丁烷羧酸衍生物，其通式为##STR1##其中R.sup.1是氢原子或具有1-14个碳原子的直链或支链烷基基团，R.sup.2是具有1-14个碳原子的直链或支链烷基基团，X.sup.1和X.sup.2分别代表氢或氟原子，以及含有至少一种这种衍生物的液晶组合物。

  公开号：

  US05545747A1

文献信息

• Chiral cyclohexyl compounds
  申请人：Secretary of State for Defence in Her Britannic Majesty's Government of

  公开号：US05853613A1

  公开（公告）日：1998-12-29

  The present invention describes liquid crystal compounds which are suitable for use in liquid crystal devices including those which exploit the electroclinic effect.

  本发明描述了适用于液晶器件中的液晶化合物，包括那些利用电致旋光效应的器件。
• Liquid crystal compounds and compositions
  申请人：SANYO CHEMICAL INDUSTRIES LTD.

  公开号：EP0517498A1

  公开（公告）日：1992-12-09

  Liquid crystal naphtalene compounds, represented by the following formula (1) are disclosed.         R-Z-A-NAP-Z′-R′   (1) In the formula (1), R is an alkyl group containing 1 to 18 carbon atoms; R′ is an alkyl group containing 1 to 21 carbon atoms; NAP represents 2,6-naphthylene group; A, Z and Z′ are as follows: 1) A is Pyr> and (a) Z is - or # and Z′ is O, or (b) Z is - and Z′ is COO; 2) if A is Pym>, (a) Z is - and Z′ is O, or (b) Z is O and Z′ is -, O or #; 3) A is FPhF and (a) Z is - or O and Z′ is -, O or COO, (b) Z is OCO and Z′ is - or O, or (c) Z is # and Z′ is O; 4) A is PhF and (a) Z is - or # and Z′ is O, (b) Z is O and Z′ is -, or (c) Z is - and Z′ is COO; 5) A is FPh and (a) Z is O and Z′ is-, (b) Z is -, O, # or OCO and Z′ is O, or (c) Z is O and Z′ is COO; 6) A is

  液晶萘化合物的化学式如下所示：R-Z-A-NAP-Z′-R′。在这个化学式中，R是含有1到18个碳原子的烷基基团；R′是含有1到21个碳原子的烷基基团；NAP代表2,6-萘基团；A、Z和Z′的具体定义如下： 1）如果A是Pyr，(a) Z是-或#，Z′是O；或者(b) Z是-，Z′是COO； 2）如果A是Pym，(a) Z是-，Z′是O；或者(b) Z是O，Z′是-、O或#； 3）如果A是FPhF，(a) Z是-或O，Z′是-、O或COO；(b) Z是OCO，Z′是-或O；或者(c) Z是#，Z′是O； 4）如果A是PhF，(a) Z是-或#，Z′是O；(b) Z是O，Z′是-；或者(c) Z是-，Z′是COO； 5）如果A是FPh，(a) Z是O，Z′是-；(b) Z是-、O、#或OCO，Z′是O；或者(c) Z是O，Z′是COO； 6）如果A是
• Liquid crystal compound and liquid crystal composition containing the
  申请人：Takasago International Corporation

  公开号：US05716542A1

  公开（公告）日：1998-02-10

  A liquid crystal compound represented by formula (I) and a liquid crystal composition containing the same. The compound exhibits an antiferroelectric liquid crystal phase and has good compatibility with known liquid crystal compounds. ##STR1## wherein R.sup.1 represents a straight-chain or branched alkyl, alkoxy, alkoxycarbonyl, alkanoyloxy or alkoxycarbonyloxy group having 4 to 16 carbon atoms; R.sup.2 represents a straight-chain alkyl group having 4 to 10 carbon atoms or a branched alkyl group containing 1 to 3 carbon atoms in its branch and 4 to 12 carbon atoms in total; X represents an oxygen or sulfur atom; rings A and B each represent an F-substituted or unsubstituted phenylene group, a cyclohexylene group or a divalent nitrogen-containing heterocyclic group, provided that either one of rings A and B is the nitrogen-containing heterocyclic group; ring C represents an F-substituted or unsubstituted phenylene group; and C* represents an asymmetric carbon atom.

  化学式（I）表示的液晶化合物和含有该化合物的液晶组合物。该化合物表现出反铁电液晶相，并且与已知液晶化合物具有良好的相容性。其中，R.sup.1代表具有4到16个碳原子的直链或支链烷基，烷氧基，烷氧羰基，烷酰氧基或烷氧羰氧基；R.sup.2代表具有4到10个碳原子的直链烷基或含有1到3个碳原子的支链烷基，并且总共含有4到12个碳原子；X代表氧原子或硫原子；环A和环B分别表示F取代或未取代的苯基，环己基或含氮杂环基，其中环A和环B中的任意一个是含氮杂环基；环C表示F取代或未取代的苯基；C*表示一个不对称的碳原子。
• Halogenated diphenyldiacetylene liquid crystals
  申请人：Displaytech, Inc.

  公开号：US05457235A1

  公开（公告）日：1995-10-10

  The present invention provides liquid crystals that are diphenyldiacetylenes of the general formulas: ##STR1## where W, X, Y and Z are, independently of one another, a halogen atom, a hydrogen atom or a trihalomethyl group, T.sub.1 and T.sub.2, independently of one another can be an alkyl, alkene, alkoxy, alkenoxy, ether, thioalkyl, thioalkenyl, haloalkyl, haloalkoxy or haloalkylether groups having from three to twenty carbon atoms or a silylalkyl, silylalkenyl, silylalkoxy or silylthioalkyl group having from three to twenty-eight carbon atoms and wherein M.sub.1 and M.sub.2 can both be single bonds or one of M.sub.1 or M.sub.2 can be a trans-1,4-cyclohexylene or a --CH.sub.2 CH.sub.2 -trans-1,4-cyclohexylene.

  本发明提供了一种二苯基二乙炔类液晶，其通式为：##STR1## 其中，W、X、Y和Z独立地表示卤素原子、氢原子或三卤甲基基团；T.sub.1和T.sub.2独立地可以是具有三到二十个碳原子的烷基、烯基、烷氧基、烯氧基、醚基、硫代烷基、硫代烯基、卤代烷基、卤代烷氧基或卤代烷基醚基，或者是具有三到二十八个碳原子的硅烷基、硅烯基、硅烷氧基或硅硫代烷基；M.sub.1和M.sub.2可以都是单键，或者M.sub.1和M.sub.2中的一个可以是反式-1,4-环己烯基或--CH.sub.2 CH.sub.2 -反式-1,4-环己烯基。
• Discotic compounds for use in liquid crystal mixtures
  申请人：Secretary of State for Defence in her Britannic Majesty's Government of

  公开号：US05750050A1

  公开（公告）日：1998-05-12

  Liquid crystal compounds have been synthesized of general formula (I) and may be mixed with other liquid crystal compounds to give useful liquid crystal mixtures which may then be used in liquid crystal devices. Such devices include linear and non-linear electrical, optical and electro-optical devices, magneto-optical devices and devices providing responses to stimuli such as temperature changes and total or partial pressure changes. Formula (I) where each Z.sub.1-6 is given by formula (II), where Y for each of Z.sub.1-6 is independently COO, OCO, CH.sub.2 O and OCH.sub.2, m defines the number of substituents on each of Z.sub.1-6 and is independently 0-5,and X is independently for each substituent on each of Z.sub.1-6 alkyl (straight chain, branched and chiral), alkoxy (straight chain, branched or chiral), alkanoyl (straight chain, branched or chiral), alkenyl (straight chain, branched or chiral), halogen, halogenoalkyl (straight chain, branched or chiral) and CN, provided that at least one of Z.sub.-6 1 has at least one substituent X, and excluding where m is 1 for each of Z.sub.1-6, Y is COO for each of Z.sub.1-6 and X is n-alkyl or n-alkoxy positioned para to Y for each of Z.sub.1-6 and also where M is 5 for each of Z.sub.1-6, Y is COO for each of Z.sub.1-6 and for each Z.sub.1-6 X is selected as n-alkoxy positioned para to Y and fluoride for all other substituents.

  已经合成了一般式(I)的液晶化合物，可以与其他液晶化合物混合，形成有用的液晶混合物，然后可以在液晶设备中使用。这些设备包括线性和非线性电学、光学和电光学设备、磁光学设备以及对温度变化和总体或局部压力变化等刺激提供响应的设备。公式(I)中，每个Z.sub.1-6由公式(II)给出，其中Z.sub.1-6的每个Y独立地为COO、OCO、CH.sub.2O和OCH.sub.2，m定义Z.sub.1-6的每个取代基的数量，独立地为0-5，X独立地为Z.sub.1-6的每个取代基选择烷基(直链、支链和手性)、烷氧基(直链、支链或手性)、烷酰基(直链、支链或手性)、烯基(直链、支链或手性)、卤素、卤素烷基(直链、支链或手性)和CN，前提是至少有一个Z.sub.-6 1具有至少一个取代基X，但不包括当m为1时，Z.sub.1-6的每个Y均为COO，Z.sub.1-6的每个取代基X均为在Y的对位上的n-烷基或n-烷氧基，以及当M为5时，Z.sub.1-6的每个Y均为COO，对于每个Z.sub.1-6，X均选择在Y的对位上的n-烷氧基，所有其他取代基均选择氟代物。