| 219909-29-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 219909-29-2
• 化学式: C₂₄H₄₄NPPdSi₂
• 分子量: 540.185
• InChiKey: RUYWDEIWJLVTAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  (Pd[C(NHBu-(t))=C(C4H3Me)][CH(SiMe3)2](CNBu-(t))(PMe3)) 、 异氰酸叔丁酯 以 二氯甲烷-D2 为溶剂， 以100%的产率得到
  参考文献：
  名称：

  Formation of Palladium- and Platinum-Substituted Fulvenes by Activation of a Cyclopentadienyl or Indenyl Ligand

  摘要：

  The stepwise, low-temperature reaction of {Pd[CH(SiMe3)(2)](mu-Cl)(PMe3)}(2)(1) with CNBu-t and NaCp' (Cp' = C5H5, C5H4Me) or LiInd (Ind = C9H7) affords metal-substituted fulvenes of composition Pd[C(NHBu-t)=C(C4H3R)][CH(SiMe3)(2)](CNBu-t)(PMe3) (R = H, Me) and Pd[C(NHBu-t)=C(C8H6)][CH(SiMe3)(2)](CNBu-t)(PMe3), of which the C5H4Me-derived complex 5a has been characterized by X-ray crystallography. The mononuclear species Pd[CH(SiMe3)(2)]Cl(CNBu-t)(PMe3) (2) has been isolated as an intermediate of this reaction. An alternative synthesis of the palladabenzofulvene complex 6 involves the reaction of the 16 electron indenyl derivative (eta(3)-Ind)Pd[CH(SiMe3)(2)](PMe3) (7) with 2 equiv of CNBu-t. In this case an eta(1)-indenyl intermediate of composition (eta(1)-Ind)Pd[CH(SiMe3)(2)](CNBu-t)(PMe3) (8) can be observed by low-temperature NMR spectroscopy. The complex Pt[CH(SiMe3)(2)]Cl(CNBu-t)(PMe3) (12) has been synthesized by the comproportionation reaction of Pt[CH(SiMe3)(2)]Cl(PMe3)(2) (10) and Pt[CH(SiMe3)(2)]Cl(CNBu-t)(2) (11), in the presence of catalytic amounts of CNBu-t. Complex 12 reacts with CNBu-t and NaCp to give first the cationic species {Pt[CH(SiMe3)(2)](CNBu-t)(2)(PMe3)}Cl (13) and then a mixture of platinafulvene isomers related to the above-mentioned Pd complexes. The fluxionality of these metallafulvene derivatives and the mechanism of their formation are discussed.

  DOI：

  10.1021/om9806500