1-cyclohexyl-3,4,5-trifluorobenzene | 266687-18-7

• 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-cyclohexyl-3,4,5-trifluorobenzene
• 英文别名: 5-cyclohexyl-1,2,3-trifluorobenzene；(3,4,5-trifluorophenyl)cyclohexane
• CAS: 266687-18-7
• 化学式: C₁₂H₁₃F₃
• 分子量: 214.23
• InChiKey: YKWJSERSGPXMGZ-UHFFFAOYSA-N

物化性质

• 沸点：
  231.0±40.0 °C(Predicted)
• 密度：
  1.168±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  溴代环己烷 、 magnesium,1,2,3-trifluorobenzene-5-ide,bromide 在 1,2-bis[bis[3,5-di(t-butyl)phenyl]phosphino]benzene 、 FeCl₂(SciOPP) 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以98%的产率得到1-cyclohexyl-3,4,5-trifluorobenzene
  参考文献：
  名称：

  Kumada–Tamao–Corriu Coupling of Alkyl Halides Catalyzed by an Iron–Bisphosphine Complex

  摘要：

  在非活化烷基卤化物与芳基格氏试剂的 Kumada-Tamao-Corriu 偶联反应中，一种具有立体要求高的邻苯系双膦配体的氯化铁（II）配合物显示出很高的催化活性。伯、仲和叔烷基卤化物都可以作为亲电偶联剂参与偶联。使用（碘甲基）环丙烷进行的自由基时钟实验只得到了相应的开环偶联产物，这表明烷基自由基物种具有中间性。

  DOI：

  10.1246/cl.2011.1030

文献信息

• CATALYST FOR CROSS-COUPLING REACTION, AND PROCESS FOR PRODUCTION OF AROMATIC COMPOUND USING THE SAME
  申请人：Nakamura Masaharu

  公开号：US20110152523A1

  公开（公告）日：2011-06-23

  The present invention provides a process for efficiently producing an alkylated aromatic compound in good yield, by a cross-coupling reaction between an alkyl halide and an aromatic magnesium reagent. A process for producing an aromatic compound represented by Formula (1): R—Ar′  (1) wherein R is a hydrocarbon group, and Ar′ is an aryl group; the process comprising: reacting a compound represented by Formula (2): R—X  (2) wherein X is a halogen atom, and R is as defined above, with a magnesium reagent represented by Formula (3): Ar′—MgY  (3) wherein Y is a halogen atom, and Ar′ is as defined above, in the presence of a catalyst for cross-coupling reactions comprising an iron compound and a bisphosphine compound represented by Formula (4): wherein Q is a divalent group derived from an aromatic ring by removing two hydrogen (H) atoms on adjacent carbon atoms; and each Ar is independently an aryl group.

  本发明提供了一种高效产生烷基芳香化合物的方法，通过烷基卤化物和芳香镁试剂之间的交叉偶联反应，以良好的产率产生烷基芳香化合物的方法，所述方法包括：将由式（2）表示的化合物：R—X（2）其中X是卤素原子，R如上所定义，与由式（3）表示的镁试剂：Ar′—MgY（3）其中Y是卤素原子，Ar′如上所定义，在交叉偶联反应的催化剂存在下反应，所述催化剂包括一种铁化合物和一种由式（4）表示的双膦化合物：其中Q是通过去除相邻碳原子上的两个氢（H）原子从芳香环中衍生的二价基团；每个Ar都是独立的芳基团。
• A comprehensive study of the effects of spectator ligands, transition metals and lithium halide additives on the efficiency of iron, nickel and palladium-catalyzed cross-coupling reactions of cyclohexyl magnesium bromide with fluorinated bromobenzenes
  作者：Adnan Dahadha、Wolfgang Imhof

  DOI：10.3998/ark.5550190.p008.044

  日期：——

  (CH2)n, n = 1, 2, 3) have been used as the precatalysts. Palladium based catalysts give high yields of the coupling product with the Grignard reagent itself whereas lithium halides are needed as additives to achieve comparable efficiencies if nickel and iron catalysts are used. Yields also depend on the chain length of the bridging units and on the fact whether fluorine substituents are present in

  十三种单、双和三氟化溴苯衍生物已与环己基溴化镁或相应的氯化锂或溴化锂加合物偶联。具有通式 [MCl2(dppx)] (x = (CH2)n, n = 1, 2, 3) 的铁、镍和钯配合物已被用作预催化剂。钯基催化剂与格氏试剂本身产生高产率的偶联产物，而如果使用镍和铁催化剂，则需要卤化锂作为添加剂以实现可比的效率。产率还取决于桥接单元的链长以及氟取代基是否存在于溴的邻位这一事实。
• ORTHOESTER DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：Masukawa Tokifumi

  公开号：US20140021407A1

  公开（公告）日：2014-01-23

  The invention is to provide a liquid crystal compound having a large dielectric anisotropy, a high voltage holding ratio and stability to heat, light and so forth, maintaining a nematic phase in a wide temperature range, having a suitable optical anisotropy and an excellent compatibility with other liquid crystal compounds, particularly, to provide a liquid crystal compound having a large dielectric anisotropy. The invention provides compound (1): In the formula, for example, R 1 is alkyl having 1 to 20 carbons; ring A 1 , ring A 2 , ring A 3 , ring A 4 , ring A 5 and ring A 6 are independently 1,4-cyclohexylene or 1,4-phenylene; Z 1 , Z 2 , Z 3 , Z 4 , Z 5 , Z 6 and Z 7 are independently a single bond, —(CH 2 ) 2 —, —COO—, —OCO—, —CF 2 O—, —OCF 2 — or —CH═CH—; X 1 is fluorine, —CF 3 or —OCF 3 ; and Y 1 and Y 2 are independently hydrogen or fluorine.

  本发明旨在提供一种具有大的介电各向异性、高电压保持比和对热、光等的稳定性，在广泛的温度范围内保持向列相，具有适当的光学各向异性和与其他液晶化合物良好的相容性，特别是提供一种具有大的介电各向异性的液晶化合物。本发明提供化合物(1)：其中，在公式中，例如，R1是具有1至20个碳的烷基；环A1、环A2、环A3、环A4、环A5和环A6独立地是1,4-环己亚甲基或1,4-苯亚甲基；Z1、Z2、Z3、Z4、Z5、Z6和Z7独立地是单键，-(CH2)2-，-COO-，-OCO-，-CF2O-，-OCF2-或-CH═CH-；X1是氟、-CF3或-O ；而Y1和Y2独立地是氢或氟。
• DIOXANE DERIVATIVES, LIQUID-CRYSTAL COMPOSITIONS CONTAINING THE SAME, AND LIQUID-CRYSTAL DISPLAY DEVICES MADE BY USING THE SAME
  申请人：CHISSO CORPORATION

  公开号：EP0881221A1

  公开（公告）日：1998-12-02

  The present invention provides liquid crystalline compounds having a high voltage holding ratio and a remarkably high Δ ε value, electric and chemical stability, and having good compatibility with known liquid crystalline compounds, liquid crystal compositions containing the compound, and liquid crystal display devices constituted by using the compounds. The liquid crystalline compounds of the present invention are particular dioxane derivatives represented by general formula (1). Further, the present invention relates to liquid crystal compositions characterized in that the compositions comprise at least one of the derivatives, and liquid crystal display devices constituted by using the compositions.

  本发明提供的液晶化合物具有较高的电压保持率和显着较高的Δ ε 值、电气和化学稳定性，并且与已知液晶化合物、含有该化合物的液晶组合物和使用该化合物构成的液晶显示设备具有良好的兼容性。 本发明的液晶化合物是由通式（1）表示的特定二恶烷衍生物。此外，本发明还涉及液晶组合物，其特征在于该组合物包含至少一种衍生物，以及使用该组合物构成的液晶显示装置。
• ORTHO ESTER DERIVATIVE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT
  申请人：JNC Corporation

  公开号：EP2690103A1

  公开（公告）日：2014-01-29

  The invention is to provide a liquid crystal compound having a large dielectric anisotropy, a high voltage holding ratio and stability to heat, light and so forth, maintaining a nematic phase in a wide temperature range, having a suitable optical anisotropy and an excellent compatibility with other liquid crystal compounds, particularly, to provide a liquid crystal compound having a large dielectric anisotropy. The invention provides compound (1): In the formula, for example, R1 is alkyl and having 1 to 20 carbons; ring A1, ring A2, ring A3, ring A4, ring A5 and ring A6 are independently 1,4-cyclohexylene or 1,4-phenylene; Z1, Z2, Z3, Z4, Z5, Z6 and Z7 are independently a single bond, - (CH2) 2-, -COO-, -OCO-, CF2O-, -OCF2- or -CH=CH-; X1 is fluorine, -CF3 or -OCF3; and Y1 and Y2 are independently hydrogen or fluorine.

  本发明旨在提供一种液晶化合物，它具有较大的介电各向异性、较高的电压保持比和对热、光等的稳定性，在较宽的温度范围内保持向列相，具有合适的光学各向异性，与其他液晶化合物具有良好的相容性，特别是提供一种具有较大介电各向异性的液晶化合物。本发明提供了化合物（1）： 例如，在式中，R1 是烷基，具有 1 至 20 个碳原子；环 A1、环 A2、环 A3、环 A4、环 A5 和环 A6 独立地是 1，4-环己烯或 1，4-亚苯基；Z1、Z2、Z3、Z4、Z5、Z6 和 Z7 独立地为单键、- (CH2)2-、-COO-、-OCO-、CF2O-、-OCF2- 或 -CH=CH-；X1 为氟、-CF3 或 -O ；以及 Y1 和 Y2 独立地为氢或氟。