bis[2-(dimethylaminomethyl)phenyl]phenylphosphane copper(I) chloride | 1585164-23-3

• 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: bis[2-(dimethylaminomethyl)phenyl]phenylphosphane copper(I) chloride
• CAS: 1585164-23-3；1585164-24-4
• 化学式: C₂₄H₂₉N₂P*Cl*Cu
• 分子量: 475.48
• InChiKey: QATLGLLZKXSOCS-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.57
• 重原子数：
  29.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  6.48
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  bis[(2-N,N-dimethyleminomethyl)phenyl]phenylphosphine 、 copper(l) chloride 以 四氢呋喃 为溶剂， 反应 2.0h， 以87.72%的产率得到bis[2-(dimethylaminomethyl)phenyl]phenylphosphane copper(I) chloride
  参考文献：
  名称：

  Copper(I) complexes with the triarylphosphanes PPh (C6H4CH2NMe2-2)3− (n= 0–2) and PPh2[C6H4CH2N(CH2CH2)2O-2]. Synthesis and structural characterization

  摘要：

  Several copper(I) complexes of type [CuXPPhn(C6H4CH2NMe2-2)(3-n)] [X = Cl, n = 1(2), 2(3); X = I n = 0(4), 1 (5), 2 (6)] were prepared by reacting CuX with the appropriate triarylphosphane in a 1:1 molar ratio. The ionic species [Cu(MeCN)(2)PPh2[C6H4CH2N(CH2CH2)(2)O-2}]+PF6- (7) was obtained in the reaction between [Cu(MeCN)(4)]PF6 and PPh2(C6H4CH2N(CH2CH2)(2)O-2) (1). All compounds were characterized by NMR spectroscopy (H-1 and P-31) and mass spectrometry. For compound 7 the F-19 NMR spectrum was also recorded. Single-crystal X-ray diffraction studies put in evidence a P,N monometallic biconnective coordination behavior of the ligand in compounds 3, 6 center dot 0.5CH(2)Cl(2) and 7 center dot CH2Cl2, while in compound 4 a P,N,N monometallic triconnective behavior was observed. In species 2 the unit cell contains two independent molecules; in one of them the PN2 ligand behaves P,N,N-monometallic triconnective, while in the other as a P,N-monometallic biconnective moiety. The N -> Cu intramolecular coordination induces planar chirality to the metal center and, as a consequence, the crystal contains both R and S isomers. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2014.01.035