1,3-bis(3,5-dimethylphenyl)-1H-benzo[d]imidazol-3-ium chloride | 1098071-01-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 1,3-bis(3,5-dimethylphenyl)-1H-benzo[d]imidazol-3-ium chloride
• 英文别名: 1,3-Bis(3,5-dimethylphenyl)benzimidazol-3-ium;chloride
• CAS: 1098071-01-2
• 化学式: C₂₃H₂₃N₂*Cl
• 分子量: 362.902
• InChiKey: BHPADZOYGVSGED-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.14
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  8.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1,3-bis(3,5-dimethylphenyl)-1H-benzo[d]imidazol-3-ium chloride 在 sodium t-butanolate 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 (BzI-3,5Me)copper(I)(dimethyldi(2-pyridyl)borate)
  参考文献：
  名称：

  Control of emission colour with N-heterocyclic carbene (NHC) ligands in phosphorescent three-coordinate Cu(i) complexes

  摘要：

  一系列三个磷光单核（NHC）-铜（i）配合物被制备并表征。

  DOI：

  10.1039/c4cc02037e

文献信息

• 有機エレクトロルミネセンス材料、及びデバイス
  申请人：ユニバーサル ディスプレイ コーポレイション

  公开号：JP2015091800A

  公开（公告）日：2015-05-14

  【課題】発光体としての使用のための化合物、及び前記化合物を含む、有機発光ダイオードなどのデバイスの提供。【解決手段】例えば下式で例示される銅化合物。上記の構造で例示される化合物をを含む組成物、及びアノードとカソードとの間に配置された有機層並びに、上記の構造で例示される化合物を含むデバイス。【選択図】なし

  提供化合物，以及包含该化合物的器件，如有机发光二极管等，用作发光体的化合物。例如，铜化合物，如下式所示。包含上述结构化合物的组合物，以及有机层位于阳极和阴极之间，以及包含上述结构化合物的器件。【选择图】无
• Organic electroluminescent materials and devices
  申请人：University of Southern California

  公开号：US10128450B2

  公开（公告）日：2018-11-13

  A compound having a structure according to formula (I) is disclosed. In formula (I), Cu is a monovalent copper atom; *C is a carbene carbon; X1 and X2 are selected from alkyl, cycloalkyl, alkoxy, amino, alkenyl, cycloalkenyl, heteroalkenyl, alkynyl, heteroalkynyl, arylalkyl, aryloxy, aryl, heteroalkyl, heteroaryl, and combinations thereof; X1 is bonded to *C by a C atom, and X2 is bonded to *C by an N atom; X1 and X2 are optionally joined to form a ring; and Y is selected halide, alkyl, cycloalkyl, alkoxy, amino, phosphine, alkenyl, cycloalkenyl, heteroalkenyl, alkynyl, heteroalkynyl, arylalkyl, aryloxy, aryl, heteroalkyl, heteroaryl, and combinations thereof. A formulation containing compound having a structure according to formula (I), and a device with an organic layer comprising disposed between an anode and a cathode, that includes a compound having a structure according to formula (I) are also described.

  具有式(I)结构的化合物 的化合物。在式 (I) 中，Cu 是一价铜原子；*C 是碳烯碳；X1 和 X2 选自烷基、环烷基、烷氧基、氨基、烯基、环烯基、杂烯基、炔基、杂炔基、芳烷基、芳氧基、芳基、杂烷基、杂芳基及其组合；X1 通过一个 C 原子与 *C 键合，X2 通过一个 N 原子与 *C 键合；X1 和 X2 任选连接形成一个环；Y 选自卤化物、烷基、环烷基、烷氧基、氨基、膦基、烯基、环烯基、杂烯基、炔基、杂炔基、芳烷基、芳氧基、芳基、杂烷基、杂芳基及其组合。此外，还描述了一种含有具有式（I）结构的化合物的配方，以及一种在阳极和阴极之间设置有机层的装置，该装置包括具有式（I）结构的化合物。
• Flexible, Bowl-Shaped N-Heterocyclic Carbene Ligands: Substrate Specificity in Iridium-Catalyzed Ketone Hydrosilylation
  作者：Anthony R. Chianese、Allen Mo、Dibyadeep Datta

  DOI：10.1021/om800878m

  日期：2009.1.26

  A series of benzimidazolium chlorides was synthesized as precursors to N-heterocyclic carbene ligands, with N-substituents varying in size from 3,5-xylyl (1a) to first-generation dendritic 3,5-bis(3,5-di-tert-butylphenyl)phenyl (1b), to the second-generation 3,5-bis[3,5-bis(3,5-di-tert-butylphenyl)phenyl]phenyl (1c). The dendritic side groups of 1b and 1c form a flexible, bowl-like cavity. Iridium complexes of 1a-c were synthesized and were shown to be catalytically active for the hydrosilylation of aryl methyl ketones. The dendritic ligands 1b and 1c effect a moderate level of substrate specificity in the competitive hydrosilylation of ketones of varying size. In the competitive hydrosilylation of acetophenone versus 3-(3,5-di-tert-butylphenyl)acetophenone, acetophenone is consumed approximately 3.7 times more quickly using the second-generation ligand 1c. Using the control ligand la, this ratio is 1.8.
• ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES
  申请人：University of Southern California

  公开号：US20180033977A1

  公开（公告）日：2018-02-01

  A compound having a structure according to formula (I) is disclosed. In formula (I), Cu is a monovalent copper atom; *C is a carbene carbon; X 1 and X 2 are selected from alkyl, cycloalkyl, alkoxy, amino, alkenyl, cycloalkenyl, heteroalkenyl, alkynyl, heteroalkynyl, arylalkyl, aryloxy, aryl, heteroalkyl, heteroaryl, and combinations thereof; X 1 is bonded to *C by a C atom, and X 2 is bonded to *C by an N atom; X 1 and X 2 are optionally joined to form a ring; and Y is selected halide, alkyl, cycloalkyl, alkoxy, amino, phosphine, alkenyl, cycloalkenyl, heteroalkenyl, alkynyl, heteroalkynyl, arylalkyl, aryloxy, aryl, heteroalkyl, heteroaryl, and combinations thereof. A formulation containing compound having a structure according to formula (I), and a device with an organic layer comprising disposed between an anode and a cathode, that includes a compound having a structure according to formula (I) are also described.
• US9853229B2
  申请人：——

  公开号：US9853229B2

  公开（公告）日：2017-12-26