2,7-di-n-hexanoyl-4,5,9,10-tetrahydropyrene | 837421-19-9

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: 2,7-di-n-hexanoyl-4,5,9,10-tetrahydropyrene
• 英文别名: 1-(7-Hexanoyl-4,5,9,10-tetrahydropyren-2-yl)hexan-1-one
• CAS: 837421-19-9
• 化学式: C₂₈H₃₄O₂
• 分子量: 402.577
• InChiKey: LYFUREMCWBPPEU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  30
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,7-di-n-hexanoyl-4,5,9,10-tetrahydropyrene 在 氢氧化钾 、 一水合肼 作用下， 以 乙二醇 为溶剂， 以93%的产率得到2,7-di-n-hexyl-4,5,9,10-tetrahydropyrene
  参考文献：
  名称：

  Ruthenium(III) Chloride Catalyzed Oxidation of Pyrene and 2,7-Disubstitued Pyrenes:  An Efficient, One-Step Synthesis of Pyrene-4,5-diones and Pyrene-4,5,9,10-tetraones

  摘要：

  Pyrene and 2,7-disubstituted pyrenes have been oxidized with ruthenium(III) chloride (RuCl3) and sodium periodate (NaIO4) under very mild conditions to 4,5-diones or 4,5,9,10-tetraones. Thus, the oxidation has been controlled by varying the amount of oxidant and reaction temperature to proceed exclusively at the pyrene 4- and 5-positions or at the 4-, 5-, 9-, and 10-positions.

  DOI：

  10.1021/jo048509q
• 作为产物：
  描述：

  4,5,9,10-四氢芘 、 己酰氯 在 三氯化铝 作用下， 以 二氯甲烷 为溶剂， 以58%的产率得到2,7-di-n-hexanoyl-4,5,9,10-tetrahydropyrene
  参考文献：
  名称：

  Ruthenium(III) Chloride Catalyzed Oxidation of Pyrene and 2,7-Disubstitued Pyrenes:  An Efficient, One-Step Synthesis of Pyrene-4,5-diones and Pyrene-4,5,9,10-tetraones

  摘要：

  Pyrene and 2,7-disubstituted pyrenes have been oxidized with ruthenium(III) chloride (RuCl3) and sodium periodate (NaIO4) under very mild conditions to 4,5-diones or 4,5,9,10-tetraones. Thus, the oxidation has been controlled by varying the amount of oxidant and reaction temperature to proceed exclusively at the pyrene 4- and 5-positions or at the 4-, 5-, 9-, and 10-positions.

  DOI：

  10.1021/jo048509q

文献信息

• Ruthenium(III) Chloride Catalyzed Oxidation of Pyrene and 2,7-Disubstitued Pyrenes:  An Efficient, One-Step Synthesis of Pyrene-4,5-diones and Pyrene-4,5,9,10-tetraones
  作者：Jie Hu、Dong Zhang、Frank W. Harris

  DOI：10.1021/jo048509q

  日期：2005.1.1

  Pyrene and 2,7-disubstituted pyrenes have been oxidized with ruthenium(III) chloride (RuCl3) and sodium periodate (NaIO4) under very mild conditions to 4,5-diones or 4,5,9,10-tetraones. Thus, the oxidation has been controlled by varying the amount of oxidant and reaction temperature to proceed exclusively at the pyrene 4- and 5-positions or at the 4-, 5-, 9-, and 10-positions.