[(tetrafluorobenzobarrelene)Ir(triisopropylphosphine)2](BF4) | 200563-14-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: [(tetrafluorobenzobarrelene)Ir(triisopropylphosphine)2](BF4)
• 英文别名: iridium(1+);3,4,5,6-tetrafluorotricyclo[6.2.2.02,7]dodeca-2(7),3,5,9,11-pentaene;tri(propan-2-yl)phosphane;tetrafluoroborate
• CAS: 200563-14-0
• 化学式: BF₄*C₃₀H₄₈F₄IrP₂
• 分子量: 825.677
• InChiKey: SAMLNXJMQNZXNO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None
• 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：

  [(tetrafluorobenzobarrelene)Ir(triisopropylphosphine)2](BF4) 、 氢气 以 二氯甲烷 为溶剂， 以87%的产率得到cis-trans-[(tetrafluorobenzobarrelene)Ir(H)2(triisopropylphosphine)2](BF4)
  参考文献：
  名称：

  Synthesis, X-ray Structure, and Catalytic Activity of the Unusual Complex [Ir(TFB)(PiPr₃)₂]BF₄ (TFB = Tetrafluorobenzobarrelene)

  摘要：

  Complex IrCl(TFB)(PiPr(3)) (1) reacts with AgBF4 in the presence of triisopropylphosphine to afford [Ir(TFB)(PiPr(3))(2)]BF4 (2). The structure of 2 was determined by an X-ray diffraction study. The coordination geometry around the iridium center is distorted square-planar with a P-Ir-P angle of 102.7(1)degrees. Complex 2 reacts with molecular hydrogen to give cis-trans-[IrH2(TFB)(PiPr(3))(2)]BF4 (3), and with phenylacetylene to afford Ir(C2Ph)(TFB)(PiPr(3)) (4). Complex 2 is found to be a very active catalyst for the hydrogenation, of olefins and phenylacetylene. In dichloromethane as solvent at 25 degrees C and atmospheric pressure, selectivities close to 80% are achieved for the hydrogenation of the alkyne to alkene.

  DOI：

  10.1021/om970688x
• 作为产物：
  描述：

  三异丙基膦 、 (tetrafluorobenzobarrelene)IrCl(triisopropylphosphine) 、 silver tetrafluoroborate 以 二氯甲烷 、 丙酮 为溶剂， 以93%的产率得到[(tetrafluorobenzobarrelene)Ir(triisopropylphosphine)2](BF4)
  参考文献：
  名称：

  Synthesis, X-ray Structure, and Catalytic Activity of the Unusual Complex [Ir(TFB)(PiPr₃)₂]BF₄ (TFB = Tetrafluorobenzobarrelene)

  摘要：

  Complex IrCl(TFB)(PiPr(3)) (1) reacts with AgBF4 in the presence of triisopropylphosphine to afford [Ir(TFB)(PiPr(3))(2)]BF4 (2). The structure of 2 was determined by an X-ray diffraction study. The coordination geometry around the iridium center is distorted square-planar with a P-Ir-P angle of 102.7(1)degrees. Complex 2 reacts with molecular hydrogen to give cis-trans-[IrH2(TFB)(PiPr(3))(2)]BF4 (3), and with phenylacetylene to afford Ir(C2Ph)(TFB)(PiPr(3)) (4). Complex 2 is found to be a very active catalyst for the hydrogenation, of olefins and phenylacetylene. In dichloromethane as solvent at 25 degrees C and atmospheric pressure, selectivities close to 80% are achieved for the hydrogenation of the alkyne to alkene.

  DOI：

  10.1021/om970688x