2-(Morpholin-4-ylmethyl)-5-nitrophenol | 256523-79-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-(Morpholin-4-ylmethyl)-5-nitrophenol
• CAS: 256523-79-2
• 化学式: C₁₁H₁₄N₂O₄
• 分子量: 238.243
• InChiKey: NVVZQOPZEBEGFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  78.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(Morpholin-4-ylmethyl)-5-nitrophenol 、 三甲基镓 以 苯 为溶剂， 以95%的产率得到dimethylgallium-[4-nitro-2-(N-morpholinomethyl)-1-phenoxide]
  参考文献：
  名称：

  Synthesis of phenols and naphthol with n-morpholinomethyl pendants and their dimethylgallium complexes: crystal structure of dimethylgallium-[4-nitro-2-(n-morpholinomethyl)-1-phenoxide]

  摘要：

  The one-pot Mannich reaction was used to synthesize 2-(n-morpholinomethyl)-1-phenol (la), 4-methyl-2-(n-morpholinomethyl)-1-phenol (Ib), 4-chloro-2-(n-morpholinomethyl)-1-phenol (Ic), 4-nitro-2-(n-morpholinomethyl)-1-phenol(ld), and 1-(n-morpholinomethyl)-naphthol (le). The dimethylgallium complexes of these compounds have been prepared, and compound 2d has been determined by X-ray crystallography. The complex 2d crystallized with one unit having two identical molecules which have intermolecular contacts between the two phenyls caused by face to face pi-pi stacking. The Ga-O bond distances are noticeably shorter than in the other dimethylgallium phenoxides reported. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(99)00148-5