N-methyl-N'-phenylimidazolium triflate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-methyl-N'-phenylimidazolium triflate
• 英文别名: 1-methyl-3-phenylimidazolium triflate；1-Methyl-3-phenylimidazol-1-ium;trifluoromethanesulfonate；1-methyl-3-phenylimidazol-1-ium;trifluoromethanesulfonate
• 化学式: CF₃O₃S*C₁₀H₁₁N₂
• 分子量: 308.281
• InChiKey: WDFVEJZLJYEJHJ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.35
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  74.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-(diphenylphosphino)-3-methyl-1-phenyl-1H-imidazol-3-ium triflate 在 四甲基氯化铵 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 、 氘代乙腈 为溶剂， 反应 2.0h， 生成 N-methyl-N'-phenylimidazolium triflate
  参考文献：
  名称：

  碳稳定的氧化磷和硫化物

  摘要：

  碳→硫属o加合物，对应于目前为止由咪唑基亚烷基（NHC）和二氨基环丙烯基（BAC）供体提供的难以捉摸的游离氧代和硫代氧代磷鎓物种[R 2 P + = X]（X = O，S）的分子间稳定模式，已被隔离并具有完整特征。R 2 C：→P +（X）Ph 2键的位置特征是通过卡宾供体与氯离子的亲核取代以及NHC：→P +（O Ph 2与独立制备的BAC配体的加合物，从而得到BAC：→P +（O）Ph 2加合物。通过DFT计算得出，卡宾→硫属o体系对杂化解离模式的偏好优于均相解离模式。

  DOI：

  10.1002/chem.201202279

文献信息

• Facile Synthesis of <i>N</i>-Alkyl-<i>N</i><i>‘</i>-arylimidazolium Salts via Addition of Imidazoles to Arynes
  作者：Hiroto Yoshida、Shinji Sugiura、Atsutaka Kunai

  DOI：10.1021/ol0262845

  日期：2002.8.1

  [reaction: see text] A novel synthetic approach to N-alkyl-N'-arylimidazolium salts has been developed on the basis of addition of imidazoles to arynes. A variety of N-alkyl-N'-arylimidazolium salts can be synthesized straightforwardly in modest to good yields. Furthermore, utility of the resulting imidazolium salts has been demonstrated by the palladium-catalyzed Suzuki-Miyaura coupling of aryl chlorides

  [反应：见正文]在将咪唑添加到芳烃的基础上，已开发出一种新颖的合成N-烷基-N'-芳基咪唑鎓盐的方法。各种N-烷基-N'-芳基咪唑鎓盐可以以适中的好收率直接合成。此外，通过钯催化的芳基氯化物的Suzuki-Miyaura偶联已经证明了所得咪唑鎓盐的实用性。
• A New Tandem Reaction of Benzyne:  One-Pot Synthesis of Aryl Amines Containing Anthracene
  作者：Chunsong Xie、Yuhong Zhang

  DOI：10.1021/ol063017g

  日期：2007.3.1

  [reaction: see text] The reaction of benzyne with N-substituted imidazoles affords a novel way to prepare arylamines containing anthracene under very mild conditions. This transformation is assumed to proceed via a tandem reaction involving a Diels-Alder reaction and an intermolecular nucleophilic coupling reaction.

  [反应：见正文]苯炔与N-取代的咪唑的反应提供了一种在非常温和的条件下制备含蒽芳基胺的新颖方法。假定这种转化是通过涉及狄尔斯-阿尔德反应和分子间亲核偶联反应的串联反应进行的。
• Electroluminescent metal complexes with nucleophilic carbene ligands
  申请人：Ciba Holding Inc.

  公开号：EP2080796A1

  公开（公告）日：2009-07-22

  This invention relates to the use of electroluminescent metal complexes of the formula wherein the ring A, represents an optionally substituted aryl group which can optionally contain heteroatoms, the ring B, represents an optionally substituted nitrogen containing aryl group, which can optionally contain further heteroatoms, or the ring A may be taken with the ring B binding to the ring A to form a ring; the group C, represents an acyclic carbene, or a cyclic carbene (ring C), which can optionally contain heteroatoms, the ring D, represents an optionally substituted aryl group which can optionally contain heteroatoms, n1 is an integer of 1 to 3, m1 is an integer of 0, 1, or 2, m2 is an integer 0, or 1, M1 is a metal with an atomic weight of greater than 40, L3 is a monodentate ligand, or a bidentate ligand, Y is -C(=O)-, or -C(X1)2-, wherein X1 is hydrogen, or C1-4alkyl, especially hydrogen, and y is 0, or 1, especially 0; in electronic devices, especially organic light emitting diodes (OLEDs), as oxygen sensitive indicators, as phosphorescent indicators in bioassays, and as catalysts.

  本发明涉及以下式子的电致发光金属络合物的用途 其中 环 A 代表任选取代的芳基，可任选含有杂原子、 环 B、 代表任选取代的含氮芳基，该芳基可任选含有更多的杂原子，或者环 A 可与环 B 结合在一起形成环；基团 C、 代表无环碳烯或环碳烯（环 C），可选择含有杂原子、 环 D、 代表任选取代的芳基，可任选含有杂原子、 n1 是 1 至 3 的整数，m1 是 0、1 或 2 的整数，m2 是 0 或 1 的整数、 M1 是原子量大于 40 的金属、 L3 是单齿配体或双齿配体、 Y 是-C(=O)-，或-C(X1)2-，其中 X1 是氢或 C1-4 烷基，尤其是氢，以及 y 是 0 或 1，尤其是 0； 在电子设备中，特别是有机发光二极管（OLED）中，作为氧敏感指示剂，在生物检测中作为磷光指示剂，以及作为催化剂。
• ELECTROLUMINESCENT METAL COMPLEXES WITH NUCLEOPHILIC CARBENE LIGANDS
  申请人：Ciba Specialty Chemicals Holding Inc.

  公开号：EP1841834A1

  公开（公告）日：2007-10-10
• Electroluminescent Metal Complexes with Nucleophilic Carbene Ligands
  申请人：Prétôt Roger

  公开号：US20110114922A1

  公开（公告）日：2011-05-19

  This invention relates to electroluminescent metal complexes of the formula (I), wherein the ring A, formula (II), represents an optionally substituted aryl group which can optionally contain heteroatoms, the ring B, formula (III), represents an optionally substituted nitrogen containing aryl group, which can optionally contain further heteroatoms, or the ring A may be taken with the ring B binding to the ring A to form a ring; the group C, formula (IV), represents an acyclic carbene, or a cyclic carbene (ring C), which can optionally contain heteroatoms, the ring D, formula (V), represents an optionally substituted aryl group which can optionally contain heteroatoms, n1 is an integer of 1 to 3, m1 is an integer of 0, 1, or 2, m2 is an integer 0, or 1, M 1 is a metal with an atomic weight of greater than 40, L 3 is a monodentate ligand, or a bidentate ligand, Y is —C(═O)—, or —C(X 1 ) 2- , wherein X 1 is hydrogen, or C 1-4 alkyl, especially hydrogen, and y is 0, or 1, especially 0; a process for their preparation, electronic devices comprising the metal complexes and their use in electronic devices, especially organic light emitting diodes (OLEDs), as oxygen sensitive indicators, as phosphorescent indicators in bioassays, and as catalysts.