8-(bromomethyl)-2,2-dimethyl-6-propan-2-yl-4H-1,3-benzodioxine | 206879-92-7

• 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: 8-(bromomethyl)-2,2-dimethyl-6-propan-2-yl-4H-1,3-benzodioxine
• CAS: 206879-92-7
• 化学式: C₁₄H₁₉BrO₂
• 分子量: 299.208
• InChiKey: JALOMKCKJRJJLY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  8-(bromomethyl)-2,2-dimethyl-6-propan-2-yl-4H-1,3-benzodioxine 在 sodium hydride 作用下， 反应 20.67h， 生成 8-[[5-tert-butyl-3-[(2,2-dimethyl-6-propan-2-yl-4H-1,3-benzodioxin-8-yl)methoxymethyl]-2-(methoxymethoxy)phenyl]methoxymethyl]-6-ethyl-2,2-dimethyl-4H-1,3-benzodioxine
  参考文献：
  名称：

  Stepwise Construction of Some Hexahomooxacalix[3]arenes and Their Conformations in Solid State

  摘要：

  Hexahomooxacalix[3]arenes 1 bearing different substituents on their upper rim were synthesized from the corresponding Linear trimers 2 by the acid-catalyzed cyclization. The X-ray crystallographic analyses of 1 (R-1 = R-3 = H, R-2 = t-Bu, and R-1 = Et, R-2 = t-Bu, R-3 = i-Pr) revealed that they adopt a cone conformation, owing to an intramolecular hydrogen-bonded network in the solid state.

  DOI：

  10.1021/jo971945a
• 作为产物：
  描述：

  2-Hydroxy-1.3-bis-hydroxymethyl-5-isopropyl-benzol 在 四溴化碳 、 对甲苯磺酸 、 三苯基膦 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 9.5h， 生成 8-(bromomethyl)-2,2-dimethyl-6-propan-2-yl-4H-1,3-benzodioxine
  参考文献：
  名称：

  Stepwise Construction of Some Hexahomooxacalix[3]arenes and Their Conformations in Solid State

  摘要：

  Hexahomooxacalix[3]arenes 1 bearing different substituents on their upper rim were synthesized from the corresponding Linear trimers 2 by the acid-catalyzed cyclization. The X-ray crystallographic analyses of 1 (R-1 = R-3 = H, R-2 = t-Bu, and R-1 = Et, R-2 = t-Bu, R-3 = i-Pr) revealed that they adopt a cone conformation, owing to an intramolecular hydrogen-bonded network in the solid state.

  DOI：

  10.1021/jo971945a