[Cu(μ-Br)(NEt2)2P(CHMe2)2(C6H2)(CCPh)]2 | 1126626-51-4

• 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: [Cu(μ-Br)(NEt2)2P(CHMe2)2(C6H2)(CCPh)]2
• 英文别名: [(μ-Br)Cu(Et2N)2PC6H2(i-Pr)2C2Ph]2；copper(1+);N-[diethylamino-[4-(2-phenylethynyl)-2,6-di(propan-2-yl)phenyl]phosphanyl]-N-ethylethanamine;dibromide
• CAS: 1126626-51-4
• 化学式: C₅₆H₈₂Br₂Cu₂N₄P₂
• 分子量: 1160.14
• InChiKey: AUJHQVSSITXVAI-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  7.91
• 重原子数：
  66
• 可旋转键数：
  22
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  13
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  双(二乙基氨基)氯膦 、 Br(CHMe2)2(C6H2)(CCPh) 、 copper(l) chloride 在 叔丁基锂 作用下， 生成 [Cu(μ-Br)(NEt2)2P(CHMe2)2(C6H2)(CCPh)]2
  参考文献：
  名称：

  P(iii)-cyclic oligomers via catalytic hydrophosphination

  摘要：

  制备了一种 bulky 的二级膦与炔基取代基，并显示出经过催化磷化反应生成环状寡聚物。

  DOI：

  10.1039/b817960c

文献信息

• Phosphines Bearing Alkyne Substituents: Synthesis and Hydrophosphination Polymerization
  作者：Sharonna Greenberg、Douglas W. Stephan

  DOI：10.1021/ic9012284

  日期：2009.9.7

  A synthetic route is described for a series of phosphines bearing pendant alkyne substituents, from the conversion of BrC6H2R2C CR' (R = Me, i-Pr; R' = Ph, SiMe3) to [(mu-Br)Cu(Et2N)(2)PC6H2R2C CR'](2) and subsequently to Cl2PC6H2R2C CR' and H2PC6H2R2C CR'. Lithiation and subsequent alkylation yield the secondary phosphines R(H)PC6H2(i-Pr)(2)C CPh (R = CH(2)i-Pr, CH2Ph). Intermolecular hydrophosphination-polymerization is used to prepare the polymeric species [RPC6H2(i-Pr)(2)CH=CPh](n), which can then be sulfurized to give [RP(S)C6H2(i-Pr)(2)CH=CPh](n). The polymeric products were characterized by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry and gel permeation chromatography. These data indicate a degree of polymerization (DPn) Of up to 60. Discussion of the mechanism is augmented with gas-phase density functional theory calculations.