[3-(N-hydroxy-tert-butylamino)phenyl][4-(N-hydroxy-tert-butylamino)phenyl]dimethylsilane | 402588-75-4

• 分子结构分类: 有机化合物 - 苯类化合物 - N-苯基羟胺
• 英文名称: [3-(N-hydroxy-tert-butylamino)phenyl][4-(N-hydroxy-tert-butylamino)phenyl]dimethylsilane
• CAS: 402588-75-4
• 化学式: C₂₂H₃₄N₂O₂Si
• 分子量: 386.61
• InChiKey: LWLZQZUDKHKVQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  27.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  46.94
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  [3-(N-hydroxy-tert-butylamino)phenyl][4-(N-hydroxy-tert-butylamino)phenyl]dimethylsilane 在 silver(l) oxide 作用下， 以 乙醚 为溶剂， 以85%的产率得到Tert-butyl-[3-[[4-[tert-butyl(oxido)amino]phenyl]-dimethylsilyl]phenyl]-oxoazanium
  参考文献：
  名称：

  Synthesis of Phenylnitroxides Bridged by an sp³-Linkage

  摘要：

  Silicon- and carbon-bridged phenylnitroxides were synthesized. They exhibited similar ESR profiles independent of the nature of the sp(3) bridge and the substitution mode of the phenylene units. The spectra revealed a quintet signal at room temperature, which became a broad triplet by lowering the temperature. Accumulated ESR measurements at 77 K led to the successful observation of a signal at Deltam(s) = 2, indicating that the triplet state was involved in this system.

  DOI：

  10.1021/ol017093p
• 作为产物：
  描述：

  tert-butylnitroso dimer 、 (m-bromophenyl)(p-bromophenyl)dimethylsilane 在 正丁基锂 作用下， 以 乙醚 、 正己烷 、 四氢呋喃 为溶剂， 以24%的产率得到[3-(N-hydroxy-tert-butylamino)phenyl][4-(N-hydroxy-tert-butylamino)phenyl]dimethylsilane
  参考文献：
  名称：

  Synthesis of Phenylnitroxides Bridged by an sp³-Linkage

  摘要：

  Silicon- and carbon-bridged phenylnitroxides were synthesized. They exhibited similar ESR profiles independent of the nature of the sp(3) bridge and the substitution mode of the phenylene units. The spectra revealed a quintet signal at room temperature, which became a broad triplet by lowering the temperature. Accumulated ESR measurements at 77 K led to the successful observation of a signal at Deltam(s) = 2, indicating that the triplet state was involved in this system.

  DOI：

  10.1021/ol017093p