1-苯甲酰氧基-5-碘-2,6-二甲氧基苯 | 161054-86-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 中文名称: 1-苯甲酰氧基-5-碘-2,6-二甲氧基苯
• 英文名称: 1-benzoyloxy-5-iodo-2,6-dimethoxybenzene
• 英文别名: 2-benzoyloxy-4-iodo-1,3-dimethoxybenzene；(3-Iodo-2,6-dimethoxyphenyl) benzoate
• CAS: 161054-86-0
• 化学式: C₁₅H₁₃IO₄
• 分子量: 384.17
• InChiKey: PHXFCRQVUSQKIX-UHFFFAOYSA-N

物化性质

• 沸点：
  495.0±45.0 °C(predicted)
• 密度：
  1.581±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-苯甲酰氧基-5-碘-2,6-二甲氧基苯 在 sodium hydroxide 、 铜 、 potassium carbonate 、 potassium iodide 作用下， 以 乙醇 、 氯仿 、 丙酮 为溶剂， 反应 31.0h， 生成 2,2',4,4'-tetramethoxy-3,3'-bis(2-methylprop-2-enyloxy)biphenyl
  参考文献：
  名称：

  Carroll, Anthony R.; Read, Roger W.; Taylor, Walter C., Australian Journal of Chemistry, 1994, vol. 47, # 8, p. 1579 - 1590

  摘要：

  DOI：
• 作为产物：
  描述：

  2,6-dimethoxyphenyl benzoate 在 一氯化碘 、 溶剂黄146 作用下， 反应 3.0h， 以86%的产率得到1-苯甲酰氧基-5-碘-2,6-二甲氧基苯
  参考文献：
  名称：

  Synthesis of the Cores of Hypocrellin and Shiraiachrome: Diastereoselective 1,8-Diketone Aldol Cyclization

  摘要：

  Intramolecular 1,8-diketone aldol reactions Were Studied as a tool for the construction of the seven-membered rings of hypocrellin and shiraiachrome. Conditions were identified to obtain the relative stereochemistries present in the two natural products with excellent diastereoselectivity. In addition, a nine-membered ring congener, which has yet to be observed in nature, formed with high selectivity when a hindered amine was used in conjunction with silazide bases.

  DOI：

  10.1021/jo9018914

文献信息

• Synthesis of the Cores of Hypocrellin and Shiraiachrome: Diastereoselective 1,8-Diketone Aldol Cyclization
  作者：Erin M. O’Brien、Jingxian Li、Patrick J. Carroll、Marisa C. Kozlowski

  DOI：10.1021/jo9018914

  日期：2010.1.1

  Intramolecular 1,8-diketone aldol reactions Were Studied as a tool for the construction of the seven-membered rings of hypocrellin and shiraiachrome. Conditions were identified to obtain the relative stereochemistries present in the two natural products with excellent diastereoselectivity. In addition, a nine-membered ring congener, which has yet to be observed in nature, formed with high selectivity when a hindered amine was used in conjunction with silazide bases.
• Carroll, Anthony R.; Read, Roger W.; Taylor, Walter C., Australian Journal of Chemistry, 1994, vol. 47, # 8, p. 1579 - 1590
  作者：Carroll, Anthony R.、Read, Roger W.、Taylor, Walter C.

  DOI：——

  日期：——