3-[[Bis(trimethylsilyl)amino]-chlorophosphanyl]-1,2,4,5-tetrafluorobenzene | 1226795-97-6

• 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: 3-[[Bis(trimethylsilyl)amino]-chlorophosphanyl]-1,2,4,5-tetrafluorobenzene
• 英文别名: 3-[[bis(trimethylsilyl)amino]-chlorophosphanyl]-1,2,4,5-tetrafluorobenzene
• CAS: 1226795-97-6
• 化学式: C₁₂H₁₉ClF₄NPSi₂
• 分子量: 375.881
• InChiKey: AXKMYYUCQOITNP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.39
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-[[Bis(trimethylsilyl)amino]-chlorophosphanyl]-1,2,4,5-tetrafluorobenzene 在 potassium fluoride 作用下， 以 氘代氯仿 为溶剂， 反应 24.0h， 以91%的产率得到3-[[Bis(trimethylsilyl)amino]-fluorophosphanyl]-1,2,4,5-tetrafluorobenzene
  参考文献：
  名称：

  A fluoroaryl substituent with spectator function: Reactivity and structures of cyclic and acyclic HF4C6-substituted phosphanes

  摘要：

  The reactivity of a series of phosphanes with a fluoroaryl group (HF(4)C(6)-) carrying a spectator function in para position has been explored with respect to the formation of low coordinated and phosphorus rich phosphanes. An asymmetric diphosphene has been indentified as an intermediate in the synthesis of a linear 1,3-dihydrophosphane, while the symmetric diphosphene undergoes 2 + 2 cycloaddition under formation of the corresponding cyclotetraphosphetane for which a crystal structure could be obtained. Attempts to synthesize HF(4)C(6)-substituted iminophosphanes generally failed, which is attributed to the electronic nature of the corresponding precursors as suggested by quantum chemical calculations. (C) 2009 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.10.025
• 作为产物：
  描述：

  Mes-PH(=O)OH 、 lithium bis(trimethylsilyl)amide diethyl etherate 以 甲苯 为溶剂， 生成 3-[[Bis(trimethylsilyl)amino]-chlorophosphanyl]-1,2,4,5-tetrafluorobenzene
  参考文献：
  名称：

  A fluoroaryl substituent with spectator function: Reactivity and structures of cyclic and acyclic HF4C6-substituted phosphanes

  摘要：

  The reactivity of a series of phosphanes with a fluoroaryl group (HF(4)C(6)-) carrying a spectator function in para position has been explored with respect to the formation of low coordinated and phosphorus rich phosphanes. An asymmetric diphosphene has been indentified as an intermediate in the synthesis of a linear 1,3-dihydrophosphane, while the symmetric diphosphene undergoes 2 + 2 cycloaddition under formation of the corresponding cyclotetraphosphetane for which a crystal structure could be obtained. Attempts to synthesize HF(4)C(6)-substituted iminophosphanes generally failed, which is attributed to the electronic nature of the corresponding precursors as suggested by quantum chemical calculations. (C) 2009 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.10.025

文献信息

• A fluoroaryl substituent with spectator function: Reactivity and structures of cyclic and acyclic HF4C6-substituted phosphanes
  作者：Andreas Orthaber、Ferdinand Belaj、Rudolf Pietschnig

  DOI：10.1016/j.jorganchem.2009.10.025

  日期：2010.4

  The reactivity of a series of phosphanes with a fluoroaryl group (HF(4)C(6)-) carrying a spectator function in para position has been explored with respect to the formation of low coordinated and phosphorus rich phosphanes. An asymmetric diphosphene has been indentified as an intermediate in the synthesis of a linear 1,3-dihydrophosphane, while the symmetric diphosphene undergoes 2 + 2 cycloaddition under formation of the corresponding cyclotetraphosphetane for which a crystal structure could be obtained. Attempts to synthesize HF(4)C(6)-substituted iminophosphanes generally failed, which is attributed to the electronic nature of the corresponding precursors as suggested by quantum chemical calculations. (C) 2009 Elsevier B. V. All rights reserved.