[Pt(1,3-diisopropylimidazolin-2-ylidene)₂(Cl)₂] | 179863-02-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [Pt(1,3-diisopropylimidazolin-2-ylidene)₂(Cl)₂]
• 英文别名: Dichlorobis(1,3-diisopropylimidazolin-2-ylidene)-platinum；1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide;platinum(2+);dichloride
• CAS: 179863-02-6
• 化学式: C₁₈H₃₂Cl₂N₄Pt
• 分子量: 570.465
• InChiKey: AUIZQMJDRMXMON-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -2.52
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [Pt(1,3-diisopropylimidazolin-2-ylidene)₂(Cl)₂] 在 potassium graphite 作用下， 以 四氢呋喃 为溶剂， 反应 96.0h， 生成 trans-[Pt(1,3-diisopropylimidazolin-2-ylidene)₂(CH₂Cl)(Cl)]
  参考文献：
  名称：

  From NHC to Imidazolyl Ligand: Synthesis of Platinum and Palladium Complexes d¹⁰-[M(NHC)₂] (M = Pd, Pt) of the NHC 1,3-Diisopropylimidazolin-2-ylidene

  摘要：

  The widely held belief that N-heterocyclic,carbenes (NHCs) act only as innocent spectator ligands is not always accurate, even in the context of well-explored reactions. Ligand exchange in the conversion of [Pt-(PPh3)(2)(eta(2)-C2H4)] (3) to [Pt(iPr(2)Im)(2)] (2) depends critically on the particular reaction conditions employed, with slight changes leading to vastly different outcomes. In addition to [Pt(iPr(2)Im)(2)] (2), complexes [Pt(iPr(2)Im)(PPh3)(eta(2)-C2H4)] (5) and trans-[Pt((i)Pr(2)Im)(2)(Pr-i-Im*)(H)] (6) were isolated and in the case of 6 fully characterized. Complex 5 represents the first mixed-olefin complex in transition metal chemistry containing both an NHC and a phosphine ligand. Chemical degradation of the NHC was Shown to yield the new imidazole-2-yl iPr-Im* in 6. Therefore, the synthesis of [Pt(iPr(2)Im)(2)] (2) via metallic reduction of the ionic precursor [Pt(iPr(2)Im)(3)(Cl)]Cl-+(-) (9) is favorable, a procedure adaptable to analogous palladium compounds. While [Pd(iPr(2)Im)(3)(Cl)]Cl-+(-) (8) is the only product obtained from the reaction of iPr(2)Im and PdCl2, neutral [Pt((i)Pr(2)Im)(2)(Cl)(2)] (10), formed as a mixture of its two stereoisomers cis-10 and trans-10; is available through precise control of the Stoichiometry in the reaction of PtCl2 and exactly 2 equiv of iPr(2)Im.

  DOI：

  10.1021/acs.organomet.5b00277
• 作为产物：
  描述：

  platinum(II) chloride 、 1,3-(diisopropyl)imidazol-2-ylidene 以 四氢呋喃 为溶剂， 以69%的产率得到[Pt(1,3-diisopropylimidazolin-2-ylidene)₂(Cl)₂]
  参考文献：
  名称：

  From NHC to Imidazolyl Ligand: Synthesis of Platinum and Palladium Complexes d¹⁰-[M(NHC)₂] (M = Pd, Pt) of the NHC 1,3-Diisopropylimidazolin-2-ylidene

  摘要：

  The widely held belief that N-heterocyclic,carbenes (NHCs) act only as innocent spectator ligands is not always accurate, even in the context of well-explored reactions. Ligand exchange in the conversion of [Pt-(PPh3)(2)(eta(2)-C2H4)] (3) to [Pt(iPr(2)Im)(2)] (2) depends critically on the particular reaction conditions employed, with slight changes leading to vastly different outcomes. In addition to [Pt(iPr(2)Im)(2)] (2), complexes [Pt(iPr(2)Im)(PPh3)(eta(2)-C2H4)] (5) and trans-[Pt((i)Pr(2)Im)(2)(Pr-i-Im*)(H)] (6) were isolated and in the case of 6 fully characterized. Complex 5 represents the first mixed-olefin complex in transition metal chemistry containing both an NHC and a phosphine ligand. Chemical degradation of the NHC was Shown to yield the new imidazole-2-yl iPr-Im* in 6. Therefore, the synthesis of [Pt(iPr(2)Im)(2)] (2) via metallic reduction of the ionic precursor [Pt(iPr(2)Im)(3)(Cl)]Cl-+(-) (9) is favorable, a procedure adaptable to analogous palladium compounds. While [Pd(iPr(2)Im)(3)(Cl)]Cl-+(-) (8) is the only product obtained from the reaction of iPr(2)Im and PdCl2, neutral [Pt((i)Pr(2)Im)(2)(Cl)(2)] (10), formed as a mixture of its two stereoisomers cis-10 and trans-10; is available through precise control of the Stoichiometry in the reaction of PtCl2 and exactly 2 equiv of iPr(2)Im.

  DOI：

  10.1021/acs.organomet.5b00277