4-methyl-N-[[2-(3-methylimidazol-3-ium-1-yl)phenyl]imino-diphenyl-lambda5-phosphanyl]aniline;iodide | 1418217-30-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-methyl-N-[[2-(3-methylimidazol-3-ium-1-yl)phenyl]imino-diphenyl-lambda5-phosphanyl]aniline;iodide
• 英文别名: 4-methyl-N-[[2-(3-methylimidazol-3-ium-1-yl)phenyl]imino-diphenyl-λ5-phosphanyl]aniline;iodide
• CAS: 1418217-30-7
• 化学式: C₂₉H₂₈N₄P*I
• 分子量: 590.446
• InChiKey: RNNVGVIFVDIQLJ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.13
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  33.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [nickel(II)dichloride(dimethoxyethane)] 、 4-methyl-N-[[2-(3-methylimidazol-3-ium-1-yl)phenyl]imino-diphenyl-lambda5-phosphanyl]aniline;iodide 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 23.0h， 以69%的产率得到
  参考文献：
  名称：

  Cross-Coupling of ArX with ArMgBr Catalyzed by N-Heterocyclic Carbene-Based Nickel Complexes

  摘要：

  N-Heterocyclic carbene-based pincer nickel complexes were synthesized and characterized. These complexes efficiently catalyze cross-coupling of aryl Grignard reagents with aryl chlorides or fluorides under mild conditions.

  DOI：

  10.1021/jo302425x
• 作为产物：
  描述：

  1-(2-azidophenyl)-3-methyl-1H-imidazol-3-ium iodide 、 <(4-methylphenyl)amino>diphenylphosphane 以 二氯甲烷 为溶剂， 以80%的产率得到4-methyl-N-[[2-(3-methylimidazol-3-ium-1-yl)phenyl]imino-diphenyl-lambda5-phosphanyl]aniline;iodide
  参考文献：
  名称：

  Cross-Coupling of ArX with ArMgBr Catalyzed by N-Heterocyclic Carbene-Based Nickel Complexes

  摘要：

  N-Heterocyclic carbene-based pincer nickel complexes were synthesized and characterized. These complexes efficiently catalyze cross-coupling of aryl Grignard reagents with aryl chlorides or fluorides under mild conditions.

  DOI：

  10.1021/jo302425x

文献信息

• Cross-Coupling of ArX with ArMgBr Catalyzed by N-Heterocyclic Carbene-Based Nickel Complexes
  作者：Wang-Jun Guo、Zhong-Xia Wang

  DOI：10.1021/jo302425x

  日期：2013.2.1

  N-Heterocyclic carbene-based pincer nickel complexes were synthesized and characterized. These complexes efficiently catalyze cross-coupling of aryl Grignard reagents with aryl chlorides or fluorides under mild conditions.