bis(1,2-bis(diphenylphosphine)ethane)copper(I) trifluoromethanesulfonate | 868549-15-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: bis(1,2-bis(diphenylphosphine)ethane)copper(I) trifluoromethanesulfonate
• CAS: 868549-15-9
• 化学式: CF₃O₃S*C₅₂H₄₈CuP₄
• 分子量: 1009.46
• InChiKey: OZZXJQQGYJKLFP-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  10.55
• 重原子数：
  65.0
• 可旋转键数：
  8.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  57.2
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  1,2-双(二苯基膦)乙烷 、 copper(I) trifluoromethanesulfonate benzene 以 氯仿 为溶剂， 以80%的产率得到bis(1,2-bis(diphenylphosphine)ethane)copper(I) trifluoromethanesulfonate
  参考文献：
  名称：

  Synthesis, spectroscopic and structural characterization of adducts of stoichiometry CuX:dppe (1:2) (X=I, ClO4, BH4, O3SCF3, SCN, dppe=Ph2P(CH2)2PPh2)

  摘要：

  Syntheses and spectroscopic features (IR, NMR and ESI MS) are reported for five 1:2 adducts of CuX with dppe (X = I, ClO4, NCS, O3SCF3 (equivalent to tfs) BH4; dppe = Ph2P(CH2)(2)PPh2). ESI MS and P-31 NMR spectroscopy indicate that these species dissociate in solution yielding free diphosphine and 3:2 species. A single crystal X-ray structure determination has been carried out on Cu(dppe)(2)NCS defining a four-coordinate complex of the form [(P,P'-dpex)M(P-dpex)X] for M = Cu, the thiocyanate being N-bound; the ionic [Cu(P,P'-dppe)(2)]tfs has also been structurally characterized. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.06.046