[IrI2(η5-C5,κ-N-(C5H4CH2CH2NMe2))] | 532393-83-2

• 英文名称: [IrI2(η5-C5,κ-N-(C5H4CH2CH2NMe2))]
• CAS: 532393-83-2
• 化学式: C₉H₁₄I₂IrN
• 分子量: 582.246
• InChiKey: XQJCFEYGQRXWKY-UHFFFAOYSA-L

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：

  [IrI2(η5-C5,κ-N-(C5H4CH2CH2NMe2))] 、 苯乙炔 以 二氯甲烷 为溶剂， 以45%的产率得到[IrI(η5-C5,σ-C(a),σ-C(b)-(C5H4CH2CH2NMe2C(a)=CHC-(CH)4-C(b)))]
  参考文献：
  名称：

  Stabilization of a Chelate Tautomer of Phenylacetylide

  摘要：

  Complex [Ir(mu-Cl)(COE)(2)](2) (1; COE = cis-cyclooctene) reacts with Li[C5H4(CH2)(2)N(CH3)(2)] to give Ir{eta(5)-C5H4(CH2)(2)N(CH3)(2)}(COE)(2) (2), which affords IrI2-{eta(5)-C-5,kappa-N-[C5H4(CH2)(2)N(CH3)(2)]} (3), by addition of I-2. The reaction of 3 with phenylacetylene yields Ir{eta(5)-C-5, sigma- C-a,sigma-C-b-[C5H4(CH2)(2)N(CH3)(2)C-a=CHC-(CH)(4)-C-b]} (4), which has been characterized by X-ray diffraction analysis.

  DOI：

  10.1021/om0210199
• 作为产物：
  描述：

  [Ir(η5-C5H4(CH2)2NMe2)(cis-cyclooctene)2] 、 碘 以 二氯甲烷 为溶剂， 以60%的产率得到[IrI2(η5-C5,κ-N-(C5H4CH2CH2NMe2))]
  参考文献：
  名称：

  Stabilization of a Chelate Tautomer of Phenylacetylide

  摘要：

  Complex [Ir(mu-Cl)(COE)(2)](2) (1; COE = cis-cyclooctene) reacts with Li[C5H4(CH2)(2)N(CH3)(2)] to give Ir{eta(5)-C5H4(CH2)(2)N(CH3)(2)}(COE)(2) (2), which affords IrI2-{eta(5)-C-5,kappa-N-[C5H4(CH2)(2)N(CH3)(2)]} (3), by addition of I-2. The reaction of 3 with phenylacetylene yields Ir{eta(5)-C-5, sigma- C-a,sigma-C-b-[C5H4(CH2)(2)N(CH3)(2)C-a=CHC-(CH)(4)-C-b]} (4), which has been characterized by X-ray diffraction analysis.

  DOI：

  10.1021/om0210199