4-methyl-8-[(2'-oxobutan-3'-yl)oxy]naphtho[2,3-b]pyran-2-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 英文名称: 4-methyl-8-[(2'-oxobutan-3'-yl)oxy]naphtho[2,3-b]pyran-2-one
• 英文别名: 4-methyl-8-(3-oxobutan-2-yloxy)benzo[g]chromen-2-one
• 化学式: C₁₈H₁₆O₄
• 分子量: 296.323
• InChiKey: BXQFHSPWGGLPMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.61
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  56.51
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4-methyl-8-[(2'-oxobutan-3'-yl)oxy]naphtho[2,3-b]pyran-2-one 在 三氯氧磷 作用下， 以 四氯化碳 为溶剂， 反应 5.0h， 以50.9%的产率得到2H-4,9,10-trimethylfuro[2',3':7,8]naphtho[2,3-b]pyran-2-one
  参考文献：
  名称：

  Regioselective synthesis and photooxygenations of furonaphthopyrones starting from 2,7-naphthalenediol

  摘要：

  Three angular furonaphthopyrones 4, 9, 12 were regioselectively synthesized starting from 2,7-naphthalenediol in three steps, respectively. An easy separation of Pechmann condensation products 1 and 2 of 2,7-naphthalenediol with ethyl acetoacetate was described. The photooxygenations of 4, 12 were investigated and a hydroperoxide 18 was isolated and fully characterized. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00845-4
• 作为产物：
  描述：

  8-hydroxy-4-methyl-2H-naphtho<2,3-b>-pyran-2-one 、 3-氯-2-丁酮 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 生成 4-methyl-8-[(2'-oxobutan-3'-yl)oxy]naphtho[2,3-b]pyran-2-one
  参考文献：
  名称：

  Regioselective synthesis and photooxygenations of furonaphthopyrones starting from 2,7-naphthalenediol

  摘要：

  Three angular furonaphthopyrones 4, 9, 12 were regioselectively synthesized starting from 2,7-naphthalenediol in three steps, respectively. An easy separation of Pechmann condensation products 1 and 2 of 2,7-naphthalenediol with ethyl acetoacetate was described. The photooxygenations of 4, 12 were investigated and a hydroperoxide 18 was isolated and fully characterized. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00845-4

文献信息

• Regioselective synthesis and photooxygenations of furonaphthopyrones starting from 2,7-naphthalenediol
  作者：Zhi-Fu Tao、Xuhong Qian、Mingcai Fan

  DOI：10.1016/s0040-4020(97)00845-4

  日期：1997.9

  Three angular furonaphthopyrones 4, 9, 12 were regioselectively synthesized starting from 2,7-naphthalenediol in three steps, respectively. An easy separation of Pechmann condensation products 1 and 2 of 2,7-naphthalenediol with ethyl acetoacetate was described. The photooxygenations of 4, 12 were investigated and a hydroperoxide 18 was isolated and fully characterized. (C) 1997 Elsevier Science Ltd.