6,8-di(tert-butyl)-3-[2-(1H-imidazol-4-yl)ethyl]-3,4-dihydro-2H-1,3-benzoxazine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 6,8-di(tert-butyl)-3-[2-(1H-imidazol-4-yl)ethyl]-3,4-dihydro-2H-1,3-benzoxazine
• 英文别名: 6,8-Di-t-butyl-3-[2-(1h-imidazol-4-yl)ethyl]-3,4-dihydro-2h-1,3-benzoxazine；6,8-ditert-butyl-3-[2-(1H-imidazol-5-yl)ethyl]-2,4-dihydro-1,3-benzoxazine
• 化学式: C₂₁H₃₁N₃O
• 分子量: 341.497
• InChiKey: CVNYJARIPOVZHA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  41.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 2,4-二叔丁基苯酚 、 histamine dichloride 在 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 40.0h， 以21%的产率得到6,8-di(tert-butyl)-3-[2-(1H-imidazol-4-yl)ethyl]-3,4-dihydro-2H-1,3-benzoxazine
  参考文献：
  名称：

  Aerobic oxidation of alcohols by copper(I)/benzoxazine ligand/TEMPO under mild and base-free conditions

  摘要：

  A novel benzoxazine ligand with an imidazole moiety was synthesized. This ligand in combination with Cu(OTf) and TEMPO efficiently catalyzed aerobic oxidation of active primary alcohols and also showed good to excellent activity in the oxidation of secondary alcohols under mild and base-free conditions.

  DOI：

  10.1134/s1070363215080277
• 作为试剂：
  描述：

  3,7-二甲基-2,6-辛二烯-1-醇 在 2,2,6,6-四甲基哌啶氧化物 、 6,8-di(tert-butyl)-3-[2-(1H-imidazol-4-yl)ethyl]-3,4-dihydro-2H-1,3-benzoxazine 、 氧气 、 三氟甲烷磺酸亚铜(I)苯联合体 (2:1) 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 以94%的产率得到柠檬醛
  参考文献：
  名称：

  Aerobic oxidation of alcohols by copper(I)/benzoxazine ligand/TEMPO under mild and base-free conditions

  摘要：

  A novel benzoxazine ligand with an imidazole moiety was synthesized. This ligand in combination with Cu(OTf) and TEMPO efficiently catalyzed aerobic oxidation of active primary alcohols and also showed good to excellent activity in the oxidation of secondary alcohols under mild and base-free conditions.

  DOI：

  10.1134/s1070363215080277

文献信息

• Aerobic oxidation of alcohols by copper(I)/benzoxazine ligand/TEMPO under mild and base-free conditions
  作者：Y. C. Zhang、R. Huang、F. L. Lü、X. H. Cao、J. Q. Zhao

  DOI：10.1134/s1070363215080277

  日期：2015.8

  A novel benzoxazine ligand with an imidazole moiety was synthesized. This ligand in combination with Cu(OTf) and TEMPO efficiently catalyzed aerobic oxidation of active primary alcohols and also showed good to excellent activity in the oxidation of secondary alcohols under mild and base-free conditions.