{bis(benzyldi-2-pyridylamine)-η2,η'2-(s-trans-isoprene)dicopper(I)} bistrifluoromethanesulfonate | 150072-18-7

• 英文名称: {bis(benzyldi-2-pyridylamine)-η2,η'2-(s-trans-isoprene)dicopper(I)} bistrifluoromethanesulfonate
• CAS: 150072-18-7
• 化学式: C₄₁H₃₈Cu₂F₆N₆O₆S₂
• 分子量: 1016.0
• InChiKey: XPQPVJDFTVNNMR-UHFFFAOYSA-L

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：
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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：

  (CuOTf)₂*C₆H₆ 、 di-2-pyridylaminomethylbenzene 、 天然橡胶 以 四氢呋喃 为溶剂， 以60%的产率得到{bis(benzyldi-2-pyridylamine)-η2,η'2-(s-trans-isoprene)dicopper(I)} bistrifluoromethanesulfonate
  参考文献：
  名称：

  Bis(benzyldi-2-pyridylamine)-η′2,-η2-(s-trans-isoprene) dicopper(I) bistrifluoromethanesulfonate. A stable CuI-diene complex

  摘要：

  Addition of benzyldi-2-pyridylamine and isoprene to a solution of [Cu(O3SCF3)]2.C6H6 in THF yields Cu2[(C6H5CH2)N-(C5H4N)2]2(mu-C5H8)(O3SCF3)2, the title complex. This complex crystallizes in the triclinic space group P1BAR with a = 11.721(4) angstrom, b = 14.099(4) angstrom, c = 14.179(4) angstrom, alpha = 80.01(2)-degrees, beta = 78.17(2)-degrees, gamma = 71.80(2)-degrees, V = 2063.6 angstrom3, and Z = 2. The structure, which contains disordered triflate ligands, converged to an R = 0.086 and R(w) = 0.132 for 2887 reflections of I > 3sigma(I(o)). It exhibits the isoprene ligand in the s-trans configuration chelating eta2 to both Cu(I) atoms.

  DOI：

  10.1016/0022-328x(93)83202-7