2,6,2'',6''-tetrafluoro-2'-iodo-1,1':3',1''-terphenyl | 1231208-09-5

• 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: 2,6,2'',6''-tetrafluoro-2'-iodo-1,1':3',1''-terphenyl
• 英文别名: 2'-iodo-2,6,2'',6''-tetrafluoro-1,1':3',1''-terphenyl；1,3-Bis(2,6-difluorophenyl)-2-iodobenzene
• CAS: 1231208-09-5
• 化学式: C₁₈H₉F₄I
• 分子量: 428.168
• InChiKey: GZUIQAMQYFWSFB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  二甲基一氯硅烷 、 2,6,2'',6''-tetrafluoro-2'-iodo-1,1':3',1''-terphenyl 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 2.55h， 以70%的产率得到[2,6-bis(2,6-difluorophenyl)phenyl]dimethylsilane
  参考文献：
  名称：

  Intramolecular Halogen Stabilization of Silylium Ions Directs Gearing Dynamics

  摘要：

  2,6-Bis(2,6-difluorophenyl)phenyldimethylsilanium ion (1a) adopts a ground-state C(2) trigonal-bipyramidal geometry in which fluorines from opposing 2,6-difluorophenyl groups coordinate to the apical positions of the pentavalent silyl cation. Exchange of fluorine at silicon occurs by a disrotatory gearing mechanism wherein one fluorine remains coordinated to silicon throughout the circuit. The "cogwheel" transition state is C(2)-symmetric, with one ring having a dihedral angle of 0 degrees and the other a dihedral angle of 90 degrees. This correlated dynamic process is a function of the coordinating halogen. The chloro derivative (1b) adopts a similar ground-state geometry,

  DOI：

  10.1021/ja9109665
• 作为产物：
  描述：

  2'-azopyrrolidine-2,6,2'',6''-tetrafluoro-1,1':3',1''-terphenyl 在 碘 作用下， 以 1,2-二氯乙烷 为溶剂， 以83%的产率得到2,6,2'',6''-tetrafluoro-2'-iodo-1,1':3',1''-terphenyl
  参考文献：
  名称：

  Intramolecular Halogen Stabilization of Silylium Ions Directs Gearing Dynamics

  摘要：

  2,6-Bis(2,6-difluorophenyl)phenyldimethylsilanium ion (1a) adopts a ground-state C(2) trigonal-bipyramidal geometry in which fluorines from opposing 2,6-difluorophenyl groups coordinate to the apical positions of the pentavalent silyl cation. Exchange of fluorine at silicon occurs by a disrotatory gearing mechanism wherein one fluorine remains coordinated to silicon throughout the circuit. The "cogwheel" transition state is C(2)-symmetric, with one ring having a dihedral angle of 0 degrees and the other a dihedral angle of 90 degrees. This correlated dynamic process is a function of the coordinating halogen. The chloro derivative (1b) adopts a similar ground-state geometry,

  DOI：

  10.1021/ja9109665

文献信息

• MATERIALS FOR ELECTRONIC DEVICES
  申请人：MERCK PATENT GMBH

  公开号：US20160072076A1

  公开（公告）日：2016-03-10

  The present application relates to a compound of a formula (I) which comprises a benzene group that is substituted with a group selected from carbazole derivatives and bridged amines and with an electron attracting group, wherein the two groups are located in the ortho-position in relation to one another. The present application further relates to the use of the compound of the formula (I) in an electronic device, and to a method of producing the compound of the formula (I).

  本申请涉及一种化合物，其化学式为(I)，包括一个苯基，该苯基被取代为由咔唑衍生物和桥式胺组成的基团和一个吸电子基团，其中这两个基团位于相对的邻位。本申请还涉及在电子器件中使用化合物(I)的方法，以及制备化合物(I)的方法。
• Materials for electronic devices
  申请人：Merck Patent GmbH

  公开号：US10193079B2

  公开（公告）日：2019-01-29

  The present application relates to a compound of a formula (I) which comprises a benzene group that is substituted with a group selected from carbazole derivatives and bridged amines and with an electron attracting group, wherein the two groups are located in the ortho-position in relation to one another. The present application further relates to the use of the compound of the formula (I) in an electronic device, and to a method of producing the compound of the formula (I).

  本申请涉及一种式(I)化合物，它包括一个苯基，该苯基被一个选自咔唑衍生物和桥胺的基团以及一个引电子基团取代，其中这两个基团彼此位于正交位置。本申请还涉及式（I）化合物在电子设备中的用途，以及式（I）化合物的生产方法。
• MATERIALIEN FÜR ELEKTRONISCHE VORRICHTUNGEN
  申请人：Merck Patent GmbH

  公开号：EP2976329B1

  公开（公告）日：2018-06-27