[2-((E)-(5-bromo-2-hydroxyphenyl)methyleneamino)phenyl]triphenylphosphonium chloride | 1147866-68-9

• 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: [2-((E)-(5-bromo-2-hydroxyphenyl)methyleneamino)phenyl]triphenylphosphonium chloride
• 英文别名: [2-(1E)-(5-bromo-2-hydroxyphenyl)methyleneaminophenyl]triphenylphosphonium chloride
• CAS: 1147866-68-9
• 化学式: C₃₁H₂₄BrNOP*Cl
• 分子量: 572.868
• InChiKey: LGTUMGYYZLUVRJ-UHFFFAOYSA-N

物化性质

• 熔点：
  >300 °C(Solvent: Ethanol; Ethyl acetate)

计算性质

• 辛醇/水分配系数(LogP)：
  3.53
• 重原子数：
  36.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  32.59
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  [2-((E)-(5-bromo-2-hydroxyphenyl)methyleneamino)phenyl]triphenylphosphonium chloride 、 zinc(II) acetate dihydrate 以 甲醇 为溶剂， 以33%的产率得到[2-(1E)-(5-bromo-2-hydroxyphenyl)methyleneaminophenyl]triphenylphosphonium chloride zinc
  参考文献：
  名称：

  Synthesis, structure, and properties of new phosphorus Schiff bases

  摘要：

  A series of new Schiff bases has been synthesized on the basis of (2-aminophenyl)triphenyl-phosphonium chloride and substituted salicylaldehydes. The structure of the prepared compounds has been established by means of IR, UV, and H-1 NMR spectroscopy, as well as DFT B3LYP/6-31G(d,p) quantum-chemical simulation. The possible tautomerism and certain properties of the azomethines, including complex formation, have been studied.

  DOI：

  10.1134/s1070363208040099
• 作为产物：
  描述：

  (2-aminophenyl)triphenylphosphonium chloride 、 5-溴水杨醛 以 乙醇 为溶剂， 反应 4.0h， 以57%的产率得到[2-((E)-(5-bromo-2-hydroxyphenyl)methyleneamino)phenyl]triphenylphosphonium chloride
  参考文献：
  名称：

  Synthesis, structure, and properties of new phosphorus Schiff bases

  摘要：

  A series of new Schiff bases has been synthesized on the basis of (2-aminophenyl)triphenyl-phosphonium chloride and substituted salicylaldehydes. The structure of the prepared compounds has been established by means of IR, UV, and H-1 NMR spectroscopy, as well as DFT B3LYP/6-31G(d,p) quantum-chemical simulation. The possible tautomerism and certain properties of the azomethines, including complex formation, have been studied.

  DOI：

  10.1134/s1070363208040099