t-BuPCl2*GaCl3 | 1082074-66-5

• 分子结构分类: 有机化合物 - 有机磷化合物
• 英文名称: t-BuPCl2*GaCl3
• 英文别名: gallium;tert-butyl(dichloro)phosphane;trichloride
• CAS: 1082074-66-5
• 化学式: C₄H₉Cl₅GaP
• 分子量: 335.077
• InChiKey: ZMRNCQNLWKEPHS-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -5.79
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  氯化镓 、 叔丁基二氯化膦 以 氟苯 为溶剂， 以18%的产率得到t-BuPCl2*GaCl3
  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