[Cp(*)Ir(η(3)-CHPhCHCH2)(-C*C-t-Bu)] | 227955-26-2

• 英文名称: [Cp(*)Ir(η(3)-CHPhCHCH2)(-C*C-t-Bu)]
• CAS: 227955-26-2
• 化学式: C₂₅H₃₃Ir
• 分子量: 525.757
• InChiKey: YLUPYJAUFUIWRH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  [Cp(*)Ir(η(3)-CHPhCHCH2)(-C*C-t-Bu)] 、 碘甲烷 以 丙酮 为溶剂， 以51%的产率得到[Cp(*)Ir(η(3)-CHPhCHCH-CH=CMe(t-Bu))I]
  参考文献：
  名称：

  Electrophile (H⁺, Me⁺)-Mediated Carbon−Carbon Bond Formation between η³-Allyl and Alkynyl Groups Coordinated to “Cp*Ir”

  摘要：

  eta(3)-Allyliridium(III) complexes Cp*Ir(eta(3)-CHPhCHCH2)(-C=C-t-Bu) (2), Cp*Ir(eta(3)-CHPhCHCH-CH=CH(t-Bu))Cl (3H), Cp*Ir(eta(3)-CHPhCHCH-CH=CMe(t-Bu))I (3Me), [Cp*Ir(eta(3)-CHPhCHCH-CH=CMe(t-Bu))(NCMe)(+) (4), and Cp*Ir(eta(3)-CHPhCHCH-CH=CMe(t-Bu))(-C=C-t-Bu') (5) have been prepared from the reactions of [Cp*Ir(eta(3)-CHPhCHCH2)(NCMe)(+) (1) with H-C=C-t-Bu tin the presence of NEt3), HCl, and Mel. The crystal structures of 2 and 5 have been determined by X-ray diffraction data analyses. Reactions of 3 and 5 with HCl produce trans,trans-1,3-pentadienes, PhCH=CHCH=CHCH2(t-Bu) (6H) and PhCH=CHCH=CHCHMe(t-Bu) (6Me), and cis,trans,trans-1,3,5-heptatriene, (t-Bu')CH=CHC(Ph)=CHCH=CHCHMe(t-Bu) (8), respectively.

  DOI：

  10.1021/om9900770
• 作为产物：
  描述：

  3,3-二甲基-1-丁炔 、 [Cp(*)Ir(η(3)-CHPhCHCH2)(NCMe)](OTf) 在 三乙胺 作用下， 以 苯 为溶剂， 以93%的产率得到[Cp(*)Ir(η(3)-CHPhCHCH2)(-C*C-t-Bu)]
  参考文献：
  名称：

  Electrophile (H⁺, Me⁺)-Mediated Carbon−Carbon Bond Formation between η³-Allyl and Alkynyl Groups Coordinated to “Cp*Ir”

  摘要：

  eta(3)-Allyliridium(III) complexes Cp*Ir(eta(3)-CHPhCHCH2)(-C=C-t-Bu) (2), Cp*Ir(eta(3)-CHPhCHCH-CH=CH(t-Bu))Cl (3H), Cp*Ir(eta(3)-CHPhCHCH-CH=CMe(t-Bu))I (3Me), [Cp*Ir(eta(3)-CHPhCHCH-CH=CMe(t-Bu))(NCMe)(+) (4), and Cp*Ir(eta(3)-CHPhCHCH-CH=CMe(t-Bu))(-C=C-t-Bu') (5) have been prepared from the reactions of [Cp*Ir(eta(3)-CHPhCHCH2)(NCMe)(+) (1) with H-C=C-t-Bu tin the presence of NEt3), HCl, and Mel. The crystal structures of 2 and 5 have been determined by X-ray diffraction data analyses. Reactions of 3 and 5 with HCl produce trans,trans-1,3-pentadienes, PhCH=CHCH=CHCH2(t-Bu) (6H) and PhCH=CHCH=CHCHMe(t-Bu) (6Me), and cis,trans,trans-1,3,5-heptatriene, (t-Bu')CH=CHC(Ph)=CHCH=CHCHMe(t-Bu) (8), respectively.

  DOI：

  10.1021/om9900770