| 937206-02-5

• CAS: 937206-02-5
• 化学式: C₄₂H₃₂Cl₄Ir₂N₆
• 分子量: 1147.01
• InChiKey: RSOPFNQSDPKQDU-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  、 4,4'-二叔丁基-2,2'-二吡啶 以 N,N-二甲基乙酰胺 为溶剂， 生成 trans-N,N-[IrCl2(C5H4NC5H2NPh)(4,4'-di-tert-butyldipyridyl)] 、 trans-N,N-[IrCl2(C5H4NC5H2NPh)(4,4'-di-tert-butyldipyridyl)]
  参考文献：
  名称：

  Stoichiometric Oxy Functionalization and CH Activation Studies of Cyclometalated Iridium(III) 6-Phenyl-2,2‘-Bipyridine Hydrocarbyl Complexes

  摘要：

  A well-defined, thermal-, air-, and protic-stable, bis-bidentate, cyclometalated Ir(III) complex, Ir(NC)(NNtBu)CH3OTf, (2-CH3; NC = kappa(2)-6-phenyl-2,2'-bipyridine, NNtBu = kappa(2)-4,4'-di-tert-butyl-2,2'-bipyridine) has been shown to undergo oxy functionalization with oxidants such as PhI(X)(2) (X = OAc, TFA) to generate CH3X (X = OAc, TFA, OTf) in yields ranging from 36 to 67% in CH2Cl2 at ambient temperatures. 2-CH3 is also competent for CH activation, undergoing stoichiometric CH activation in benzene, and catalyzes the H/D exchange reaction between benzene and acids (acetic and trifluoroacetic acid).

  DOI：

  10.1021/om0611002
• 作为产物：
  描述：

  吡啶 、 6-苯基-2,2'-联吡啶 、 三氯化铱 以 乙二醇甲醚 为溶剂， 生成
  参考文献：
  名称：

  Stoichiometric Oxy Functionalization and CH Activation Studies of Cyclometalated Iridium(III) 6-Phenyl-2,2‘-Bipyridine Hydrocarbyl Complexes

  摘要：

  A well-defined, thermal-, air-, and protic-stable, bis-bidentate, cyclometalated Ir(III) complex, Ir(NC)(NNtBu)CH3OTf, (2-CH3; NC = kappa(2)-6-phenyl-2,2'-bipyridine, NNtBu = kappa(2)-4,4'-di-tert-butyl-2,2'-bipyridine) has been shown to undergo oxy functionalization with oxidants such as PhI(X)(2) (X = OAc, TFA) to generate CH3X (X = OAc, TFA, OTf) in yields ranging from 36 to 67% in CH2Cl2 at ambient temperatures. 2-CH3 is also competent for CH activation, undergoing stoichiometric CH activation in benzene, and catalyzes the H/D exchange reaction between benzene and acids (acetic and trifluoroacetic acid).

  DOI：

  10.1021/om0611002