1-[[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]-4-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxymethyl)triazole | 1198074-96-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: 1-[[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]-4-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxymethyl)triazole
• CAS: 1198074-96-2
• 化学式: C₂₇H₃₁N₃O₇
• 分子量: 509.559
• InChiKey: ZKYGNTYSDQFPLE-DGBMOVMRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  37
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  95.3
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2-propynyloxymethyl-1,4-benzodioxane 、 5-azido-3-O-benzyl-5-deoxy-1,2-O-isopropylidene-α-D-xylofuranose 在 copper diacetate 、 sodium ascorbate 作用下， 以 水 、 叔丁醇 为溶剂， 以75%的产率得到1-[[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]-4-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxymethyl)triazole
  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.