4''-methylterphenyl-4-yl-carbonitrile | 147920-56-7

• 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: 4''-methylterphenyl-4-yl-carbonitrile
• 英文别名: 4-[4-(4-Methylphenyl)phenyl]benzonitrile
• CAS: 147920-56-7
• 化学式: C₂₀H₁₅N
• 分子量: 269.346
• InChiKey: DEBVMAUZPNFBIK-UHFFFAOYSA-N

物化性质

• 沸点：
  469.9±24.0 °C(Predicted)
• 密度：
  1.14±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4''-methylterphenyl-4-yl-carbonitrile 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 作用下， 以 四氯化碳 为溶剂， 反应 3.0h， 以41%的产率得到(4''-bromomethyl)terphenyl-4-yl-carbonitrile
  参考文献：
  名称：

  Direct Probing Molecular Twist and Tilt in Aromatic Self-Assembled Monolayers

  摘要：

  Using a nitrile tailgroup as a spectroscopic marker, both twist and tilt of the aromatic backbones in several typical aromatic SAMs on Au(111) have been directly determined in a single experiment. Whereas the exact value of the twist angle depends on the molecular architecture, it was found to be quite noticeable in all SAMs (40-50 degrees) and close to the respective value for aromatic bulk systems (32 degrees).

  DOI：

  10.1021/ja0751882
• 作为产物：
  描述：

  4-溴-4’-甲基联苯 、 4-溴苯腈 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride magnesium 作用下， 以 四氢呋喃 为溶剂， 反应 17.5h， 以2.60 g的产率得到4''-methylterphenyl-4-yl-carbonitrile
  参考文献：
  名称：

  Direct Probing Molecular Twist and Tilt in Aromatic Self-Assembled Monolayers

  摘要：

  Using a nitrile tailgroup as a spectroscopic marker, both twist and tilt of the aromatic backbones in several typical aromatic SAMs on Au(111) have been directly determined in a single experiment. Whereas the exact value of the twist angle depends on the molecular architecture, it was found to be quite noticeable in all SAMs (40-50 degrees) and close to the respective value for aromatic bulk systems (32 degrees).

  DOI：

  10.1021/ja0751882

文献信息

• BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA
  申请人：Merck Patent GmbH

  公开号：US20170210990A1

  公开（公告）日：2017-07-27

  The invention relates to bimesogenic compounds of formula I wherein R 11 , R 12 , MG 11 , MG 12 , X 11 , X 12 and Sp 1 have the meaning given in claim 1 , to the use of bimesogenic compounds of formula I in liquid crystal media and particular to flexoelectric liquid crystal devices comprising a liquid crystal medium according to the present invention.

  这项发明涉及式I的双向嵌段化合物，其中R11、R12、MG11、MG12、X11、X12和Sp1的含义如权利要求1所述，涉及在液晶介质中使用式I的双向嵌段化合物，特别涉及包括根据本发明的液晶介质的柔电液晶器件。
• FUROCHROMAN DERIVATIVES
  申请人：Jansen Axel

  公开号：US20080177095A1

  公开（公告）日：2008-07-24

  Disclosed are furochroman compounds of formula I liquid-crystal media which contains the compounds of formula I, and the use of the media in electro-optical displays, in particular in VAN LCDs.

  揭示了化学式I的呋喃化合物、含有化合物I的液晶介质，以及在电光显示器中使用该介质的用途，特别是在VAN液晶显示器中的应用。
• BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA
  申请人：Merck Patent GmbH

  公开号：US20170327741A1

  公开（公告）日：2017-11-16

  The invention relates to bimesogenic compounds of formula I wherein R 11 , R 12 , MG 11 , MG 12 , X 11 , X 12 and Sp 1 have the meaning given in claim 1 , to the use of bimesogenic compounds of formula I in liquid crystal media and particular to flexoelectric liquid crystal devices comprising a liquid crystal medium according to the present invention.

  该发明涉及公式I的双向嵌段化合物，其中R11、R12、MG11、MG12、X11、X12和Sp1的含义如权利要求书中所述，以及公式I的双向嵌段化合物在液晶介质中的使用，特别是包括根据本发明的液晶介质的弯曲电液晶器件。
• Benzochromene Derivatives for Use in Liquid Crystal Media and as Therapeutic Active Substances
  申请人：Taugerbeck Andreas

  公开号：US20090247620A1

  公开（公告）日：2009-10-01

  The present invention relates to benzochromene derivatives of the formula I where the various parameters have the meaning indicated in the text, and to liquid-crystal media which comprise these compounds, and to the use of the media in electro-optical displays, in particular in TN, OCB, LCOS and/or IPS-LCDs, and to the use of the compounds and physiologically acceptable derivatives thereof as therapeutic active ingredients.

  本发明涉及式I的苯基色素衍生物，其中各种参数的含义如文本所示，以及包括这些化合物的液晶介质，以及在TN、OCB、LCOS和/或IPS-LCD等电光显示器中使用这些介质，以及将这些化合物及其生理上可接受的衍生物用作治疗活性成分。
• Benzochromene Derivatives
  申请人：Taugerbeck Andreas

  公开号：US20090023802A1

  公开（公告）日：2009-01-22

  The present invention relates to benzochromene derivatives of the formula I where the various parameters have the meaning indicated in the text, and to liquid-crystal media which comprise these compounds, and to the use of the media in electro-optical displays, in particular in VAN-LCDs, and to the use of the compounds and physiologically acceptable derivatives thereof as therapeutic active ingredients.

  本发明涉及式I的苯基色素衍生物，其中各种参数的含义如文本所示，以及包含这些化合物的液晶介质，以及在电光显示器中的使用，特别是在VAN-LCD中的使用，以及将这些化合物及其生理上可接受的衍生物用作治疗活性成分的用途。