(1r,2R,4S,5r)-3-chloro-3-isopropyltricyclo[2.1.0.02,5]pentaphosphan-3-ium tetrachloroaluminate | 1360002-47-6

• 英文名称: (1r,2R,4S,5r)-3-chloro-3-isopropyltricyclo[2.1.0.02,5]pentaphosphan-3-ium tetrachloroaluminate
• CAS: 1360002-47-6
• 化学式: AlCl₄*C₃H₇ClP₅
• 分子量: 402.204
• InChiKey: ORCSBBOXEKHLNG-TVEZTDPGSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
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• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  三氯化铝 、 phosphorus 、 二氯异丙基膦 以 氟苯 为溶剂， 以74%的产率得到(1r,2R,4S,5r)-3-chloro-3-isopropyltricyclo[2.1.0.02,5]pentaphosphan-3-ium tetrachloroaluminate
  参考文献：
  名称：

  Formation of Cationic [RP₅Cl]⁺-Cages via Insertion of [RPCl]⁺-Cations into a P–P Bond of the P₄ Tetrahedron

  摘要：

  Fluorobenzene solutions of RPCl2 and a Lewis acid such as ECl3 (E = Al, Ga) in a 1:1 ratio are used as reactive sources of chlorophosphenium cations [RPCl](+), which insert into P-P bonds of dissolved P-4. This general protocol represents a powerful strategy for the synthesis of new cationic chloro-substituted organophosphorus [RP5Cl](+)-cages as illustrated by the isolation of several monocations (21a-g(+)) in good to excellent yields. For singular reaction two possible reaction mechanisms are proposed on the basis of quantum chemical calculations. The intriguing NMR spectra and structures of the obtained cationic [RP5Cl]cages are discussed. Furthermore, the reactions of dichlorophosphanes and the Lewis acid GaCl3 in various stoichiometries are investigated to obtain a deeper understanding of the species involved in these reactions. The formation of intermediates such as RPCl2 center dot GaCl3 (14) adducts, dichlorophosphanylchlorophosphonium cations [RPCl2-RPCl](+) (16(+) and [RPCl2-RPCl-GaCl3](+) (17(+)) in reaction mixtures of RPCl2 and GaCl3 in fluorobenzene strongly depends on the basicity of the dichlorophosphane RPCl2 (R = tBu, Cy, iPr, Et, Me, Ph, C6F5) and the reaction stoichiometry.

  DOI：

  10.1021/ic2013304