2-hydroxy-3-(1-(naphthalen-1-yl)-2-nitroethyl)naphthalene-1,4-dione | 1187616-59-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-hydroxy-3-(1-(naphthalen-1-yl)-2-nitroethyl)naphthalene-1,4-dione
• CAS: 1187616-59-6
• 化学式: C₂₂H₁₅NO₅
• 分子量: 373.365
• InChiKey: SVUIKNPIVSCEPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.09
• 重原子数：
  28.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  97.51
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  2-羟基-1,4-萘醌 、 β-(1-naphthyl)nitroethylene 以 水 为溶剂， 反应 12.0h， 以85%的产率得到2-hydroxy-3-(1-(naphthalen-1-yl)-2-nitroethyl)naphthalene-1,4-dione
  参考文献：
  名称：

  Facile and highly efficient method for the C-alkylation of 2-hydroxy-1,4-naphthoquinone to nitroalkenes under catalyst-free ‘on water’ conditions

  摘要：

  C-Alkylation of 2-hydroxy-1,4-naphthoquinone to various nitroolefins was achieved under catalyst-free employing 'on water' conditions. The mechanism for the formation can be explained oil the basis of dual activation of nitroalkene and 2-hydroxy-1,4-naphthoquinones via hydrogen bonding. Simple reaction conditions, high yields of the products, and environmentally benign medium are attractive features of this method. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.06.107