(benzene-1,2-diolato)<(2-dimethylaminomethyl)phenyl>phosphonite | 170468-13-0

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: (benzene-1,2-diolato)<(2-dimethylaminomethyl)phenyl>phosphonite
• 英文别名: 1-[2-(1,3,2-benzodioxaphosphol-2-yl)phenyl]-N,N-dimethylmethanamine
• CAS: 170468-13-0
• 化学式: C₁₅H₁₆NO₂P
• 分子量: 273.271
• InChiKey: HOFDZXWSXMOPTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.16
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  21.7
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (benzene-1,2-diolato)<(2-dimethylaminomethyl)phenyl>phosphonite 在 氧气 作用下， 以 甲苯 为溶剂， 以46%的产率得到(benzene-1,2-diolato)<(2-dimethylaminomethyl)phenyl>phosphonate
  参考文献：
  名称：

  Intramolecular coordination at phosphorus: donor-acceptor interaction in three- and four-coordinated phosphorus compounds

  摘要：

  The phosphorus derivatives P(X)(O2C6H4-1,2)(2)[C6H4(CH(2)NMe(2))(2)-2] (9-11) undergo ready extension of coordination by N-->P intramolecular donor-acceptor interaction as shown by P-31 NMR and dynamic H-1 NMR spectroscopy. This extension of coordination does not occur with P(X)(OEt)(2)[C6H4(CH(2)NMe(2))(2)-2] (7 and 8). The Delta G(not equal) of pseudo-rotation was calculated by dynamic H-1 NMR spectroscopy to be 57-58 kJ mol(-1) for the three compounds P(X)(O2C6H4-1,2)(2)[C10H6(NMe(2)-8)] (19-21).

  DOI：

  10.1016/0022-328x(95)00318-k
• 作为产物：
  描述：

  a-丙烯酸氯甲酯 、 2-(N,N-dimethylaminomethyl)phenyllithium 以 乙醚 为溶剂， 以76%的产率得到(benzene-1,2-diolato)<(2-dimethylaminomethyl)phenyl>phosphonite
  参考文献：
  名称：

  Intramolecular coordination at phosphorus: donor-acceptor interaction in three- and four-coordinated phosphorus compounds

  摘要：

  The phosphorus derivatives P(X)(O2C6H4-1,2)(2)[C6H4(CH(2)NMe(2))(2)-2] (9-11) undergo ready extension of coordination by N-->P intramolecular donor-acceptor interaction as shown by P-31 NMR and dynamic H-1 NMR spectroscopy. This extension of coordination does not occur with P(X)(OEt)(2)[C6H4(CH(2)NMe(2))(2)-2] (7 and 8). The Delta G(not equal) of pseudo-rotation was calculated by dynamic H-1 NMR spectroscopy to be 57-58 kJ mol(-1) for the three compounds P(X)(O2C6H4-1,2)(2)[C10H6(NMe(2)-8)] (19-21).

  DOI：

  10.1016/0022-328x(95)00318-k