trans-[PtCl2(NH=C(C6F5)C(=PPh3)CO2Et)(NCC6F5)] | 182945-82-0

• 英文名称: trans-[PtCl2(NH=C(C6F5)C(=PPh3)CO2Et)(NCC6F5)]
• CAS: 182945-82-0
• 化学式: C₃₆H₂₁Cl₂F₁₀N₂O₂PPt
• 分子量: 1000.52
• InChiKey: KHHVBDBILLNWRQ-QLIRPSIZSA-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

• 作为产物：
  描述：

  五氟苯腈 以 丙酮 为溶剂， 生成 trans-[PtCl2(NH=C(C6F5)C(=PPh3)CO2Et)(NCC6F5)]
  参考文献：
  名称：

  Platinum-Assisted Addition of Carbonyl-Stabilized Phosphorus Ylides to Pentafluorobenzonitrile and Acetonitrile To Give Platinum(II) Complexes Containing Iminophosphorane and/or N-Bonded β-Imino Phosphorus Ylide Ligands. Crystal and Molecular Structures of trans-[PtCl₂{E-NHC(C₆F₅)C(PPh₃)C(O)Me}₂] and trans-[PtCl₂{E-N(PPh₃)C(C₆F₅)CHCO₂Et}{E-NHC(C₆F₅)C(PPh₃)CO₂Et}]

  摘要：

  PtCl2 reacts with C6F5CN to give trans-[PtCl2(NCC6F5)(2)] (1) which, in turn, reacts with carbonyl-stabilized phosphorus ylides Ph(3)P=CHR [R = C(O)Me, CO(2)Et] to give trans-[PtCl2{NH=C(C6F5)C(=PPh(3))CO(2)Et}{NCC6F5}] (2a), trans-[PtCl2{NH=C(C6F5)C(=PPh(3))CO(2)Et}(2)] (3a), trans-[PtCl2{E-NH=C(C6F5)C(=PPh(3))C(O)Me}(2)] (3b) or trans-[PtCl2{E-N(=PPh(3))C(C6F5)=CHCO(2)Et}{E-NH=C(C6F5)C(=PPh(3))CO(2)Et}] (4), depending on the reaction conditions. Similarly, Ph(3)P=CHCO(2)Me reacts with trans-[PtCl2(NCMe)(2)] to give trans-[PtCl2{NH=CMeC(=PPh(3))CO(2)Me}(NCMe)] (2b), Complex 3b . CH2Cl2 crystallizes in the triclinic system, space group P (1) over bar, with a = 7.596(2) Angstrom, b = 12.694(3) Angstrom, c = 16.962(3) Angstrom, alpha = 104.28(3)degrees, beta = 102.73(3)degrees, gamma = 104.43(3)degrees, V = 1464.2(6) Angstrom(3), and Z = 1. The structure was refined to values of R1 = 0.0411 and wR2 = 0.1172 [I > 2 sigma(I)] and shows two chloro and two N-bonded beta-imino phosphorus ylide ligands in a trans geometry. Complex 4 crystallizes in the monoclinic system, space group P2(1)/c, with a = 16.400(8) Angstrom, b = 14.354(7) Angstrom, c = 23.221(12) Angstrom, alpha = 90(3)degrees, beta = 92.42(2)degrees, gamma = 90 degrees, V = 5462(5) Angstrom(3), and Z = 4. The structure was refined to values of R1 = 0.0246 and wR2 = 0.0557 [I > 2 sigma(I)]. This complex has also a trans-geometry and shows that while the attack of the ylide on one of the nitrile ligands produces a beta-imino-phosphorus ylide ligand the addition on the second nitrile leads lu an iminophosphorane ligand.

  DOI：

  10.1021/ic951666a