[(C5(CH3)5)Ir(η3-CH2CHCHC6H5)(NCC(CH3)CH2)](OSO2CF3) | 299409-99-7

• 英文名称: [(C5(CH3)5)Ir(η3-CH2CHCHC6H5)(NCC(CH3)CH2)](OSO2CF3)
• CAS: 299409-99-7
• 化学式: CF₃O₃S*C₂₃H₂₉IrN
• 分子量: 660.78
• InChiKey: LZKXCIXSRRNYGH-UHFFFAOYSA-M

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：

  sodium hydroxide 、 [(C5(CH3)5)Ir(η3-CH2CHCHC6H5)(NCC(CH3)CH2)](OSO2CF3) 以 四氢呋喃 、 水 为溶剂， 以93%的产率得到[(C5(CH3)5)Ir(η3-CH2CHCHC6H5)(NHCOC(CH3)CH2)]
  参考文献：
  名称：

  Addition of OH^- and Alcohols or Amines to −C⋮N and −CHCH₂ Groups of CH₂CHCN Coordinated to Cp*Ir(η³-CH₂CHCHPh)

  摘要：

  Hydroxide ion and alcohols or amines are added regioselectively to the -C=N and -CH=CH2 groups of CH2=CHCN in [Cp*Ir(eta(3)-CH2CHCHPh)(NCCH=CH2)](+) (1a). The unsaturated amido complex Cp*Ir(eta(3)-CH2CHCHPh)(NHCOCH=CH2) (2a), alkoxo amido complexes Cp*Ir(eta(3)-CH2CHCHPh)(NHCOCH2CH2OR) (4, R = Me (a), Et (b)), amino amido complexes Cp*Ir(eta(3)-CH2CHCHPh)(NHCOCH2CH2NR2) (6, R-2 = Met (a), (Me)(H) (b)), and an amino imino-ether complex [Cp*Ir(eta(3)- CH2CHCHPh)(NH=C(OMe)CH2CH2NMe2)](+) (8) have been prepared from the reactions of 1a with OH-, OH-/ROH (R = Me, Et), OH-/HNR2 (R-2 = Me-2, (Me)(H)), and MeOH/NHMe2, respectively. Reactions of 2, 4, 6, and 8 with aqueous HCL yield Cp*IrCl(eta(3)-CH2CHCHPh) and quantitative amounts of H2NCOCH=CH2, H2NCOCH2CH2OR, H2NCOCH2CH2NR2, and MeOCOCH2CH2NMe2, respectively. Crystal structures of 1a and 4a have been determined by X-ray diffraction data analysis.

  DOI：

  10.1021/om0002881
• 作为产物：
  描述：

  Cp*IrCl(η3-CH2CHCHPh) 、 silver trifluoromethanesulfonate 、 甲基丙烯腈 以 氯仿 为溶剂， 以90%的产率得到[(C5(CH3)5)Ir(η3-CH2CHCHC6H5)(NCC(CH3)CH2)](OSO2CF3)
  参考文献：
  名称：

  Addition of OH^- and Alcohols or Amines to −C⋮N and −CHCH₂ Groups of CH₂CHCN Coordinated to Cp*Ir(η³-CH₂CHCHPh)

  摘要：

  Hydroxide ion and alcohols or amines are added regioselectively to the -C=N and -CH=CH2 groups of CH2=CHCN in [Cp*Ir(eta(3)-CH2CHCHPh)(NCCH=CH2)](+) (1a). The unsaturated amido complex Cp*Ir(eta(3)-CH2CHCHPh)(NHCOCH=CH2) (2a), alkoxo amido complexes Cp*Ir(eta(3)-CH2CHCHPh)(NHCOCH2CH2OR) (4, R = Me (a), Et (b)), amino amido complexes Cp*Ir(eta(3)-CH2CHCHPh)(NHCOCH2CH2NR2) (6, R-2 = Met (a), (Me)(H) (b)), and an amino imino-ether complex [Cp*Ir(eta(3)- CH2CHCHPh)(NH=C(OMe)CH2CH2NMe2)](+) (8) have been prepared from the reactions of 1a with OH-, OH-/ROH (R = Me, Et), OH-/HNR2 (R-2 = Me-2, (Me)(H)), and MeOH/NHMe2, respectively. Reactions of 2, 4, 6, and 8 with aqueous HCL yield Cp*IrCl(eta(3)-CH2CHCHPh) and quantitative amounts of H2NCOCH=CH2, H2NCOCH2CH2OR, H2NCOCH2CH2NR2, and MeOCOCH2CH2NMe2, respectively. Crystal structures of 1a and 4a have been determined by X-ray diffraction data analysis.

  DOI：

  10.1021/om0002881