bromotris(methyldiphenylphosphine) copper (I) | 36386-11-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: bromotris(methyldiphenylphosphine) copper (I)
• CAS: 36386-11-5
• 化学式: C₃₉H₃₉BrCuP₃
• 分子量: 744.11
• InChiKey: ZRTIAKKOAPDVRK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  9.09
• 重原子数：
  44.0
• 可旋转键数：
  9.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  bromotris(methyldiphenylphosphine) copper (I) 在 BH₃*THF 作用下， 以 四氢呋喃 为溶剂， 以84%的产率得到di-μ-bromotetrakis(methyldiphenylphosphine) dicopper (I)
  参考文献：
  名称：

  Stoichiometric removal of ligand from phosphine-ligated copper(I) reagents with BH3 · Thf: a novel synthesis of di-μ-bromotetrakis(methyldiphenylphosphine)-dicopper(I) and the structures of CuBr[PMePh2]3 and {CuBr [PMePh2]2}2

  摘要：

  Attempts to synthesize CuBr[PMePh2]2 using standard methods result in the formation of CuBr[PMePh2]3 (I). {CuBr[PMePh2]2}2 (II) has been conveniently prepared in high yield from I by the reaction with BH3 . THF in THF, and its molecular structure has been determined. {CuBr[PMePh2]2}2 (II) crystallizes in the triclinic space group P1BAR with cell dimensions a = 10.362(4), b = 10.938(5), c = 12.620(6) angstrom, alpha = 74.90(4), beta = 67.81(3), gamma = 87.91(3)-degrees and Z = 2 (per monomeric unit). The molecule II is a dibromide-bridged dimer with two pseudo-tetrahedral copper atoms. The molecular structure of CuBr[PMePh2]3 (I) is also reported. The species crystallizes in the orthorhombic space group Pna2(1) with Z = 4 and cell constants a = 20.174(7), b = 10.354(3) and c = 17.267(5) angstrom. The coordination geometry about the copper atom is approximately tetrahedral. Detailed spectroscopic data are reported for both species. This reaction involving removal of phosphines with BH3 . THF appears to be stoichiometric and general.

  DOI：

  10.1016/s0277-5387(00)86936-3
• 作为产物：
  描述：

  二苯基甲氧基膦 、 copper(I) bromide 以 二氯甲烷 为溶剂， 生成 bromotris(methyldiphenylphosphine) copper (I)
  参考文献：
  名称：

  Fife, Dennis J.; Moore, William M.; Morse, Karen W., Inorganic Chemistry, 1984, vol. 23, # 12, p. 1684 - 1691

  摘要：

  DOI：