9-p-Anisyl-thioxanthyl | 27120-94-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫平类
• 英文名称: 9-p-Anisyl-thioxanthyl
• CAS: 27120-94-1
• 化学式: C₂₀H₁₅OS
• 分子量: 303.404
• InChiKey: WSLYVHZXMMANNV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.18
• 重原子数：
  22.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  9-p-Anisyl-thioxanthyl 在 氧气 作用下， 以 乙腈 为溶剂， 生成 9-噻吨酮
  参考文献：
  名称：

  Rate Constants and Activation Energies for the Reactions of Triphenylmethyl and 9-Arylthioxanthyl Radicals with Dioxygen.

  摘要：

  Triphenylmethyl radical reacts with dioxygen in dichloromethane with a second-order rate constant of 1.1 x 10(7) dm(3) mol(-1) s(-1) at 298 K and an Arrhenius activation energy of -4.1 kcal mol(-1). 4-Phenyl-substituted thioxanthyl radicals are somewhat less reactive toward dioxygen in acetonitrile (second-order rate constants from 1.4 x 10(5) to 3.2 x 10(5) dm3 mol(-1) s(-1) at 298 K with Arrhenius activation energies of about -3 kcal mol(-1)). A weak substituent effect (p=-0.45) was observed for the latter reaction series. The major products of these reactions are the corresponding carbonyl compounds, benzophenone and thioxanthone, believed to form by rearrangement after rate determining adduct formation between the radicals and dioxygen. The mechanism of adduct formation is believed to occur in two steps involving the formation of a complex in a pre-equilibrium followed by bond formation.

  DOI：

  10.3891/acta.chem.scand.51-0865