[(η6-p-cymene)RuCl(PPh2CC-t-Bu)2]O3SCF3 | 764663-20-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: [(η6-p-cymene)RuCl(PPh2CC-t-Bu)2]O3SCF3
• 英文别名: 3,3-dimethylbut-1-ynyl(diphenyl)phosphane;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);trifluoromethanesulfonate;chloride
• CAS: 764663-20-9
• 化学式: CF₃O₃S*C₄₆H₅₂ClP₂Ru
• 分子量: 952.46
• InChiKey: OZGXYFBZSOULBM-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  8.42
• 重原子数：
  58
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  65.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  cis-[(pentafluorophenyl)2 (tetrahydrofurane)2 platinum(II)] 、 [(η6-p-cymene)RuCl(PPh2CC-t-Bu)2]O3SCF3 以 二氯甲烷 为溶剂， 以95%的产率得到[(η6-p-cymene)(PPh2CC-t-Bu)Ru(μ-Cl)(μ-1κP:η2-PPh2CC-t-Bu)Pt(C6F5)2](O3SCF3)
  参考文献：
  名称：

  (p-cymene)Ruthenium(II)(diphenylphosphino)alkyne Complexes:  Preparation of (μ-Cl)(μ-PPh₂C⋮CR)-Bridged Ru/Pt Heterobimetallic Complexes

  摘要：

  The neutral complexes [(eta(6)-p-cymene)RuCl2(PPh2C=CR)] (R = Ph 1, Bu-t 2, (4-CH3)C6H4 3, (4-C=CPh)C6H4 4, (4-CN)C6H4 5) have been synthesized by reacting [(p-cymene)RuCl2](2) with the respective alkynylphosphine. Treatment of 1-5 with AgOTf or TIPF6 and the corresponding PPh2C=CR allows the preparation of cationic bis(diphenylphosphino) compounds [(eta(6)-p-cymene)RuCl(PPh2C=CR)(2)]X (X = OTf; R = Ph 6, Bu-t 7, (4-CH3)C6H4 8, (4-C=CPh)C6H4 9, X = PF6; R = (4-CN)C6H4 10). All complexes have been characterized by analytical and spectroscopic methods, by cyclic voltammetry, and in several cases (3 and 7) by X-ray crystallography. Reactions of both neutral (1-4) and cationic (6-8) complexes with [cis-Pt(C6F5)(2)(thf)(2)] (thf = tetrahydrofuran) gave heterobimetallic neutral [(n(6)-p-cymene)Cl-Ru(mu-Cl)(mu-1kappaP:eta(2)-PPh2C=CR)Pt(C6F5)(2)] (R = Ph 11a, Bu-t 12a, (4-CH3)C6H4 13a, (4-C=CPh)-C6H4 14a and cationic [(eta(6)-p-cymene)(PPh2C=CR)Ru(rho-Cl)(mu-1kappaP:eta(2)-PPh2C=CR)Pt(C6F5)(2)]-(OTf) (R = Ph 15, Bu-t 16, (4-CH3)C6H4 17) derivatives stabilized by a mixed Cl/PPh2C=CR bridging system. The molecular structures of 12a and 17 have been confirmed by X-ray diffraction. However, the neutral complexes 11-14 existed in solution as a mixture of isomers [(eta(6)-p-cymene)ClRu(mu-Cl)(mu-Cl)(mu-1kappaP:eta(2)-PPh2C=CR)Pt(C6F5)(2)] (a) and [(eta(6)-p-cymene)(PPh2C=CR)Ru(mu-Cl)(2)Pt(C6F5)(2)] (b), respectively.

  DOI：

  10.1021/om049676j
• 作为产物：
  描述：

  RuCl2(p-cymene)(PPh2C.tplbnd.C-t-Bu) 、 (3,3-dimethyl-1-butynyl)diphenylphosphine 、 silver trifluoromethanesulfonate 以 丙酮 为溶剂， 以84%的产率得到[(η6-p-cymene)RuCl(PPh2CC-t-Bu)2]O3SCF3
  参考文献：
  名称：

  (p-cymene)Ruthenium(II)(diphenylphosphino)alkyne Complexes:  Preparation of (μ-Cl)(μ-PPh₂C⋮CR)-Bridged Ru/Pt Heterobimetallic Complexes

  摘要：

  The neutral complexes [(eta(6)-p-cymene)RuCl2(PPh2C=CR)] (R = Ph 1, Bu-t 2, (4-CH3)C6H4 3, (4-C=CPh)C6H4 4, (4-CN)C6H4 5) have been synthesized by reacting [(p-cymene)RuCl2](2) with the respective alkynylphosphine. Treatment of 1-5 with AgOTf or TIPF6 and the corresponding PPh2C=CR allows the preparation of cationic bis(diphenylphosphino) compounds [(eta(6)-p-cymene)RuCl(PPh2C=CR)(2)]X (X = OTf; R = Ph 6, Bu-t 7, (4-CH3)C6H4 8, (4-C=CPh)C6H4 9, X = PF6; R = (4-CN)C6H4 10). All complexes have been characterized by analytical and spectroscopic methods, by cyclic voltammetry, and in several cases (3 and 7) by X-ray crystallography. Reactions of both neutral (1-4) and cationic (6-8) complexes with [cis-Pt(C6F5)(2)(thf)(2)] (thf = tetrahydrofuran) gave heterobimetallic neutral [(n(6)-p-cymene)Cl-Ru(mu-Cl)(mu-1kappaP:eta(2)-PPh2C=CR)Pt(C6F5)(2)] (R = Ph 11a, Bu-t 12a, (4-CH3)C6H4 13a, (4-C=CPh)-C6H4 14a and cationic [(eta(6)-p-cymene)(PPh2C=CR)Ru(rho-Cl)(mu-1kappaP:eta(2)-PPh2C=CR)Pt(C6F5)(2)]-(OTf) (R = Ph 15, Bu-t 16, (4-CH3)C6H4 17) derivatives stabilized by a mixed Cl/PPh2C=CR bridging system. The molecular structures of 12a and 17 have been confirmed by X-ray diffraction. However, the neutral complexes 11-14 existed in solution as a mixture of isomers [(eta(6)-p-cymene)ClRu(mu-Cl)(mu-Cl)(mu-1kappaP:eta(2)-PPh2C=CR)Pt(C6F5)(2)] (a) and [(eta(6)-p-cymene)(PPh2C=CR)Ru(mu-Cl)(2)Pt(C6F5)(2)] (b), respectively.

  DOI：

  10.1021/om049676j