| 149693-67-4

• CAS: 149693-67-4
• 化学式: C₂₈H₁₈F₈Ir₂O₄
• 分子量: 954.876
• InChiKey: LFMSCDKSFAJKSW-IBGYCRMISA-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：

  在 pyridine 作用下， 以 正己烷 为溶剂， 以48%的产率得到
  参考文献：
  名称：

  Synthesis and reactions of new hydridosilyliridium(III) complexes containing the diolefin tetrafluorobenzobarrelene

  摘要：

  Treatment of the complex [Ir(mu-OMe)(TFB)]2 (1) with acetic acid leads to the dimeric carboxylate compound [Ir(mu,eta2-O2CCH3)(TFB)]2 (2). The acetate bridges of 2 are split by monodentate ligands to give the square-planar derivatives Ir(OCOCH3)(TFB)L (L = py (3), PPh3 (4), PCY3 (5), PiPr3 (6)). The complexes 4-6 react with HSiEt3, HSiPh3, and H2SiPh2 to give the dihydride silyl complexes IrH2(SiR3') (TFB) (PR3) (R' = Et (7, 9, 11), Ph (8, 10, 12); R = Ph (7,8), Cy (9, 10), iPr (11, 12)) and IrH2(Ph2SiOCOCH3)(TFB)(PR3) (R = Ph (13), Cy (14), (i)Pr(15)). In the presence of 7, 9, and 11, phenylacetylene undergoes reaction with triethylsilane. In all experiments carried out PhCH=CH2, PhC=CSiEt3, cis-PhCH=CH(SiEt3), trans-PhCH=CH(SiEt3), and Ph(SiEt3)C=CH2 were obtained. Reactions of 7-12 with CO cause reductive elimination of HSiR3' and the formation of Ir(eta1:eta2-C12F4H7)(CO)2(PR3) (R = Ph (16), Cy (17), (i)Pr (18)). The molecular structure of 17 has been determined by X-ray investigation. 17 crystallizes with a toluene molecule in the monoclinic space group P2(1)/n with a = 10.158(3) angstrom, b = 15.075(2) angstrom, c = 21.539(7) angstrom, and beta = 92.50(2)-degrees. The coordination geometry around the iridium center can be described as a distorted trigonal bipyramid with the phosphorus atom of the phosphine ligand and the C-Ir carbon atom occupying the axial positions. The equatorial plane is defined by the two carbon monoxide ligands and by the midpoint of the double carbon-carbon bond of the carbocyclic ligand.

  DOI：

  10.1021/om00032a056
• 作为产物：
  描述：

  bis{iridium(μ-methoxy)(tetrafluorobenzobarrelene)} 在 acetic acid 作用下， 以 异丙醇 、 丙酮 为溶剂， 以81%的产率得到
  参考文献：
  名称：

  Synthesis and reactions of new hydridosilyliridium(III) complexes containing the diolefin tetrafluorobenzobarrelene

  摘要：

  Treatment of the complex [Ir(mu-OMe)(TFB)]2 (1) with acetic acid leads to the dimeric carboxylate compound [Ir(mu,eta2-O2CCH3)(TFB)]2 (2). The acetate bridges of 2 are split by monodentate ligands to give the square-planar derivatives Ir(OCOCH3)(TFB)L (L = py (3), PPh3 (4), PCY3 (5), PiPr3 (6)). The complexes 4-6 react with HSiEt3, HSiPh3, and H2SiPh2 to give the dihydride silyl complexes IrH2(SiR3') (TFB) (PR3) (R' = Et (7, 9, 11), Ph (8, 10, 12); R = Ph (7,8), Cy (9, 10), iPr (11, 12)) and IrH2(Ph2SiOCOCH3)(TFB)(PR3) (R = Ph (13), Cy (14), (i)Pr(15)). In the presence of 7, 9, and 11, phenylacetylene undergoes reaction with triethylsilane. In all experiments carried out PhCH=CH2, PhC=CSiEt3, cis-PhCH=CH(SiEt3), trans-PhCH=CH(SiEt3), and Ph(SiEt3)C=CH2 were obtained. Reactions of 7-12 with CO cause reductive elimination of HSiR3' and the formation of Ir(eta1:eta2-C12F4H7)(CO)2(PR3) (R = Ph (16), Cy (17), (i)Pr (18)). The molecular structure of 17 has been determined by X-ray investigation. 17 crystallizes with a toluene molecule in the monoclinic space group P2(1)/n with a = 10.158(3) angstrom, b = 15.075(2) angstrom, c = 21.539(7) angstrom, and beta = 92.50(2)-degrees. The coordination geometry around the iridium center can be described as a distorted trigonal bipyramid with the phosphorus atom of the phosphine ligand and the C-Ir carbon atom occupying the axial positions. The equatorial plane is defined by the two carbon monoxide ligands and by the midpoint of the double carbon-carbon bond of the carbocyclic ligand.

  DOI：

  10.1021/om00032a056