[RuCl(η6-C6H6)(2,2'-bis(diphenylphosphinomethyl)-1,1'-biphenyl)]Cl | 937381-11-8

• 英文名称: [RuCl(η6-C6H6)(2,2'-bis(diphenylphosphinomethyl)-1,1'-biphenyl)]Cl
• 英文别名: [RuCl(η6-C6H6)(BISBI)]Cl
• CAS: 937381-11-8
• 化学式: C₄₄H₃₈ClP₂Ru*Cl
• 分子量: 800.709
• InChiKey: SFMSEAMBWXLORQ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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• 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：

  二氯甲烷 、 [RuCl(η6-C6H6)(2,2'-bis(diphenylphosphinomethyl)-1,1'-biphenyl)]Cl 、 silver tetrafluoroborate 以 甲醇 、 二氯甲烷 为溶剂， 以62.3%的产率得到[RuCl(η6-C6H6)(BISBI)]BF4*CH2Cl2
  参考文献：
  名称：

  Syntheses of Ru–η6-C6H6-diphosphine complexes and their catalytic properties for hydrogenation of benzene

  摘要：

  Six Ru-eta(6)-C6H6-diphosphine complexes, [RuCl(eta(6)-C6H6)(BISBI)]Cl (1) (BISBI=2,2'-bis(diphenylphosphinomethyl)-1,1'-biphenyl), [RuCl(eta(6)-C6H6)(BDPX)]Cl (2) (BDPX=1,2-bis(diphenylphosphinomethyl)benzene), Ru2Cl4(eta(6)-C6H6)(2)(mu(2)-BDNA) (3) (BDNA=1,8-bis(diphenylphosphinomethyl)naphthalene), [RuCl(eta(6)-C6H6)(BISBI)]BF4 (4), [RuCl(eta(6)-C6H6)(BDPX)]BF4 (5) and [(eta(6)-C6H6)(2)Ru2Cl2(mu(2)-Cl)(mu(2)-BDNA)]BF4 (6) were prepared and used as catalysts in hydrogenation of benzene. Their catalytic activities were obviously relative with the compositions or structures of these complexes. The hydrogenations of benzene catalyzed by complexes 1, 2 and 3 were homogeneous in the conditions of reaction temperature of 100 degrees C and hydrogen pressure of 50 kg/cm(2), complexes 4, 5 and 6 were simultaneously homogeneous and heterogeneous in the same reaction conditions. Among all complexes, 4, 5 and 6 were of higher catalytic activities than 1, 2 and 3. The dinuclear complex 6 in which one chlorine anion was substituted by one tetrafluoroborate gave the highest activity. The higher activities of complex 4, 5 and 6 were owing to the easy generation of catalytic active species and the formations of Ru(0) particles which were of the highly catalytic activity. As novel complexes, the compositions and structures of 1, 2, 4 and 5 were characterized by NMR spectra. The structures of 4 and 5 were further determined by elemental analysis and single crystal X-ray diffraction. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2006.04.032
• 作为产物：
  描述：

  2,2'-二[(二苯基膦基)甲基]-1,1'-联苯 、 [RuCl2(benzene)]2 以 甲醇 为溶剂， 以92%的产率得到[RuCl(η6-C6H6)(2,2'-bis(diphenylphosphinomethyl)-1,1'-biphenyl)]Cl
  参考文献：
  名称：

  Syntheses of Ru–η6-C6H6-diphosphine complexes and their catalytic properties for hydrogenation of benzene

  摘要：

  Six Ru-eta(6)-C6H6-diphosphine complexes, [RuCl(eta(6)-C6H6)(BISBI)]Cl (1) (BISBI=2,2'-bis(diphenylphosphinomethyl)-1,1'-biphenyl), [RuCl(eta(6)-C6H6)(BDPX)]Cl (2) (BDPX=1,2-bis(diphenylphosphinomethyl)benzene), Ru2Cl4(eta(6)-C6H6)(2)(mu(2)-BDNA) (3) (BDNA=1,8-bis(diphenylphosphinomethyl)naphthalene), [RuCl(eta(6)-C6H6)(BISBI)]BF4 (4), [RuCl(eta(6)-C6H6)(BDPX)]BF4 (5) and [(eta(6)-C6H6)(2)Ru2Cl2(mu(2)-Cl)(mu(2)-BDNA)]BF4 (6) were prepared and used as catalysts in hydrogenation of benzene. Their catalytic activities were obviously relative with the compositions or structures of these complexes. The hydrogenations of benzene catalyzed by complexes 1, 2 and 3 were homogeneous in the conditions of reaction temperature of 100 degrees C and hydrogen pressure of 50 kg/cm(2), complexes 4, 5 and 6 were simultaneously homogeneous and heterogeneous in the same reaction conditions. Among all complexes, 4, 5 and 6 were of higher catalytic activities than 1, 2 and 3. The dinuclear complex 6 in which one chlorine anion was substituted by one tetrafluoroborate gave the highest activity. The higher activities of complex 4, 5 and 6 were owing to the easy generation of catalytic active species and the formations of Ru(0) particles which were of the highly catalytic activity. As novel complexes, the compositions and structures of 1, 2, 4 and 5 were characterized by NMR spectra. The structures of 4 and 5 were further determined by elemental analysis and single crystal X-ray diffraction. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2006.04.032