2-(3-nitrobenzyl)-5-methylbenzoxazole | 1260766-25-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: 2-(3-nitrobenzyl)-5-methylbenzoxazole
• 英文别名: 5-Methyl-2-[(3-nitrophenyl)methyl]-1,3-benzoxazole
• CAS: 1260766-25-3
• 化学式: C₁₅H₁₂N₂O₃
• 分子量: 268.272
• InChiKey: GWPZQZMQZYRXGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  71.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(2,2-dibromovinyl)-3-nitrobenzene 在 四丁基氟化铵 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 2-(3-nitrobenzyl)-5-methylbenzoxazole
  参考文献：
  名称：

  Synthesis of heteroaryl ketones via tandem reaction of 1,1-dibromoethenes

  摘要：

  A novel method for the synthesis of heteroaryl ketones through one-pot tandem reaction of 1,1-dibromoethenes with 2-amino(thio)phenols promoted by TBAF center dot 3H(2)O and RuCl3(5%)/air was developed. This novel method includes several reactions in one-pot and utilizes economical yet efficient reagents to generate synthetically and biologically interesting heteroaryl ketones under mild conditions with good efficiency. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.05.111

文献信息

• Synthesis of heteroaryl ketones via tandem reaction of 1,1-dibromoethenes
  作者：Xuesen Fan、Yan He、Xinying Zhang、Shenghai Guo、Yangyang Wang

  DOI：10.1016/j.tet.2011.05.111

  日期：2011.8

  A novel method for the synthesis of heteroaryl ketones through one-pot tandem reaction of 1,1-dibromoethenes with 2-amino(thio)phenols promoted by TBAF center dot 3H(2)O and RuCl3(5%)/air was developed. This novel method includes several reactions in one-pot and utilizes economical yet efficient reagents to generate synthetically and biologically interesting heteroaryl ketones under mild conditions with good efficiency. (C) 2011 Elsevier Ltd. All rights reserved.