(NMe2)2Zr(i-PrNHPPh2)2 | 1238346-47-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (NMe2)2Zr(i-PrNHPPh2)2
• 英文别名: Dimethylazanide;diphenylphosphanyl(propan-2-yl)azanide;zirconium(4+)
• CAS: 1238346-47-8
• 化学式: C₃₄H₄₆N₄P₂Zr
• 分子量: 663.938
• InChiKey: DHYNNGSCRMOURO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.87
• 重原子数：
  41
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (1,5-cyclooctadiene)dimethylplatinum(II) 、 (NMe2)2Zr(i-PrNHPPh2)2 以 四氢呋喃 为溶剂， 以65%的产率得到(NMe2)2Zr(i-PrNHPPh2)2PtMe2
  参考文献：
  名称：

  Electronic Factors Affecting Metal−Metal Interactions in Early/Late Heterobimetallics: Substituent Effects in Zirconium/Platinum Bis(phosphinoamide) Complexes

  摘要：

  The bidentate metalloligand (NMe2)(2)Zr((PrNPPh2)-Pr-i)(2) (1) has been synthesized and treated with (COD)PtMe2 to generate the heterobimetallic Zr/Pt species (NMe2)(2)Zr((PrNPPh2)-Pr-i)(2)PtMe2 (2). Complex 2 can be treated with TMSCI to generate the dichloride species Cl2Zr((PrNPPh2)-Pr-i)(2)PtMe2 (3), a useful precursor for generating a range of Zr/Pt complexes featuring different Zr substituents. Upon treatment with lithio or Grignard reagents, Cl(Me3SiCH2)Zr((PrNPPh2)-Pr-i)(2)PtMe2 (4), (Me3SiCH2)(2)Zr((PrNPPh2)-Pr-i)(2)PtMe2 (5), and Me2Zr((PrNPPh2)-Pr-i)(2)PtMe2 (6) have been synthesized. Complexes 1-6 have been characterized using X-ray crystallography, revealing an unmistakable trend in Pt-Zr distance as a function of the electron-releasing ability of the Zr-bound X-type ligands. In addition, the solid-state structure of 6 reveals isomerization of the chelating metalloligand from a cis to a trans configuration about Pt and an unusual anagostic interaction between one of the Pt-bound Me groups and the electron-deficient Zr center. This isomerization is accompanied by a thermoneutral methyl group exchange process between Zr and Pt.

  DOI：

  10.1021/om100356a
• 作为产物：
  描述：

  四(二甲氨基)锆 、 diphenylphosphino isopropylamine 以 正戊烷 为溶剂， 以96%的产率得到(NMe2)2Zr(i-PrNHPPh2)2
  参考文献：
  名称：

  Electronic Factors Affecting Metal−Metal Interactions in Early/Late Heterobimetallics: Substituent Effects in Zirconium/Platinum Bis(phosphinoamide) Complexes

  摘要：

  The bidentate metalloligand (NMe2)(2)Zr((PrNPPh2)-Pr-i)(2) (1) has been synthesized and treated with (COD)PtMe2 to generate the heterobimetallic Zr/Pt species (NMe2)(2)Zr((PrNPPh2)-Pr-i)(2)PtMe2 (2). Complex 2 can be treated with TMSCI to generate the dichloride species Cl2Zr((PrNPPh2)-Pr-i)(2)PtMe2 (3), a useful precursor for generating a range of Zr/Pt complexes featuring different Zr substituents. Upon treatment with lithio or Grignard reagents, Cl(Me3SiCH2)Zr((PrNPPh2)-Pr-i)(2)PtMe2 (4), (Me3SiCH2)(2)Zr((PrNPPh2)-Pr-i)(2)PtMe2 (5), and Me2Zr((PrNPPh2)-Pr-i)(2)PtMe2 (6) have been synthesized. Complexes 1-6 have been characterized using X-ray crystallography, revealing an unmistakable trend in Pt-Zr distance as a function of the electron-releasing ability of the Zr-bound X-type ligands. In addition, the solid-state structure of 6 reveals isomerization of the chelating metalloligand from a cis to a trans configuration about Pt and an unusual anagostic interaction between one of the Pt-bound Me groups and the electron-deficient Zr center. This isomerization is accompanied by a thermoneutral methyl group exchange process between Zr and Pt.

  DOI：

  10.1021/om100356a