HOC6H3(NO2)CHNCH2CH(Me)OH | 1253124-38-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: HOC6H3(NO2)CHNCH2CH(Me)OH
• CAS: 1253124-38-7
• 化学式: C₁₀H₁₂N₂O₄
• 分子量: 224.216
• InChiKey: KJCGKDXLSRCWGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  16.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  95.96
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  bis(acetylacetonato)dioxidomolybdenum(VI) 、 HOC6H3(NO2)CHNCH2CH(Me)OH 在 air 作用下， 以 甲醇 为溶剂， 以62%的产率得到[Mo(O)2(OC6H3(NO2)CHNCH2CH(Me)O)]
  参考文献：
  名称：

  Synthesis, characterization and pronounced epoxidation activity of cis-dioxo-molybdenum(VI) tridentate Schiff base complexes using tert-butyl hydroperoxide

  摘要：

  The synthesis and catalytic performance of novel cis-dioxo-Mo(VI) complexes containing simple ONO tridentate Schiff base ligands in the epoxidation of various olefins using tert-butyl hydroperoxide in desired times with excellent chemo- and stereoselectivity have been described. The study of turnover numbers and the UV-Vis spectra of the Mo complexes in the present epoxidation system indicate well the high efficiency and stability of the catalysts during the reaction. The electron-deficient and bulky groups on the salicylidene ring of the ligand promote the effectiveness of the catalyst. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2010.06.024
• 作为产物：
  描述：

  5-硝基水杨醛 、 异丙醇胺 以 甲醇 为溶剂， 反应 1.0h， 以75%的产率得到HOC6H3(NO2)CHNCH2CH(Me)OH
  参考文献：
  名称：

  Synthesis, characterization and pronounced epoxidation activity of cis-dioxo-molybdenum(VI) tridentate Schiff base complexes using tert-butyl hydroperoxide

  摘要：

  The synthesis and catalytic performance of novel cis-dioxo-Mo(VI) complexes containing simple ONO tridentate Schiff base ligands in the epoxidation of various olefins using tert-butyl hydroperoxide in desired times with excellent chemo- and stereoselectivity have been described. The study of turnover numbers and the UV-Vis spectra of the Mo complexes in the present epoxidation system indicate well the high efficiency and stability of the catalysts during the reaction. The electron-deficient and bulky groups on the salicylidene ring of the ligand promote the effectiveness of the catalyst. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2010.06.024