[1,3]二氧杂环戊并[4,5-g][2,1]苯并恶唑 | 158683-18-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 中文名称: [1,3]二氧杂环戊并[4,5-g][2,1]苯并恶唑
• 英文名称: 7H-[1,3]Dioxolo[4,5-g][2,1]benzoxazole
• 英文别名: [1,3]dioxolo[4,5-g][2,1]benzoxazole
• CAS: 158683-18-2
• 化学式: C₈H₅NO₃
• 分子量: 163.133
• InChiKey: CJSHNZQSBXXNKT-UHFFFAOYSA-N

物化性质

• 沸点：
  300.1±11.0 °C(Predicted)
• 密度：
  1.473±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  44.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  六氟异丙醇 、 N-(benzyloxy)-2-bromo-2-methylpropanamide 、 [1,3]二氧杂环戊并[4,5-g][2,1]苯并恶唑 在 sodium carbonate 作用下， 反应 4.0h， 以98%的产率得到1,1,1,3,3,3-hexafluoropropan-2-yl 6-((1-((benzyloxy)amino)-2-methyl-1-oxopropan-2-yl)amino)benzo[d][1,3]dioxole-5-carboxylate
  参考文献：
  名称：

  Synthesis of Active Hexafluoroisopropyl Benzoates via a Multicomponent Reaction

  摘要：

  Herein, we describe an efficient, practical free-metal rapid access to active hexafluoroisopropyl benzoates from anthranils, hexafluoroisopropanol, and N-alkoxy alpha-halogenoacetamides. Notably, this process includes anthranils that underwent a distinct pattern reaction. The protocol has good functional group tolerance and a broad substrate scope. Using a simple and general method, we accomplished potential synthetic application of active ester.

  DOI：

  10.1021/acs.joc.0c00476

文献信息

• Synthesis of Active Hexafluoroisopropyl Benzoates via a Multicomponent Reaction
  作者：Yi Liu、Ziqiao Wu、Yankai Wang、Yuheng Zhang、Jie Shao、Tao Lu、Wenhai Li

  DOI：10.1021/acs.joc.0c00476

  日期：2020.6.19

  Herein, we describe an efficient, practical free-metal rapid access to active hexafluoroisopropyl benzoates from anthranils, hexafluoroisopropanol, and N-alkoxy alpha-halogenoacetamides. Notably, this process includes anthranils that underwent a distinct pattern reaction. The protocol has good functional group tolerance and a broad substrate scope. Using a simple and general method, we accomplished potential synthetic application of active ester.