3-Benzhydryl-5-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxymethyl)-1,2-oxazole | 1198074-94-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-Benzhydryl-5-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxymethyl)-1,2-oxazole
• CAS: 1198074-94-0
• 化学式: C₂₆H₂₃NO₄
• 分子量: 413.473
• InChiKey: GIWBRGIBPKIPHA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  53.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-propynyloxymethyl-1,4-benzodioxane 、 N-hydroxy-2,2-diphenylacetimidoyl chloride 在 三乙胺 作用下， 以 乙醚 为溶剂， 以67%的产率得到3-Benzhydryl-5-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxymethyl)-1,2-oxazole
  参考文献：
  名称：

  Synthesis of Isoxazole Conjugates of 1,4-Benzodioxane Moiety via Intermolecular 1,3-Dipolar Cycloaddition

  摘要：

  1,3-Dipolar cycloaddition was utilized as a tool to conjugate the 1,4-benzodioxane moiety with several biologically active compounds such as steroid, sugar, and other aromatic scaffolds via isoxazole or triazole bridge. The propynyl ether of 2-hydroxymethyl-1,4-benzodioxane underwent 1,3-dipolar cycloadditions smoothly with different in situ generated nitrile oxides in good yields. The triazole conjugate of 1,4-benzodioxane was synthesized via click chemistry.

  DOI：

  10.1080/00397910902838979

文献信息

• Synthesis of Isoxazole Conjugates of 1,4-Benzodioxane Moiety via Intermolecular 1,3-Dipolar Cycloaddition
  作者：Vipraja V. Vaidya、Karuna S. Wankhede、Susheel J. Nara、Manikrao M. Salunkhe、Girish K. Trivedi

  DOI：10.1080/00397910902838979

  日期：2009.10.12

  1,3-Dipolar cycloaddition was utilized as a tool to conjugate the 1,4-benzodioxane moiety with several biologically active compounds such as steroid, sugar, and other aromatic scaffolds via isoxazole or triazole bridge. The propynyl ether of 2-hydroxymethyl-1,4-benzodioxane underwent 1,3-dipolar cycloadditions smoothly with different in situ generated nitrile oxides in good yields. The triazole conjugate of 1,4-benzodioxane was synthesized via click chemistry.