diethyl 4,4'-(naphtho[1,8-bc]pyran-2,3-diyl)diphenyldibenzoate | 1381988-33-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: diethyl 4,4'-(naphtho[1,8-bc]pyran-2,3-diyl)diphenyldibenzoate
• 英文别名: Ethyl 4-[3-(4-ethoxycarbonylphenyl)-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaen-4-yl]benzoate；ethyl 4-[3-(4-ethoxycarbonylphenyl)-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaen-4-yl]benzoate
• CAS: 1381988-33-5
• 化学式: C₃₀H₂₄O₅
• 分子量: 464.518
• InChiKey: LIEUGFWCKWQGJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  萘酚 、 4-[2-(4-乙氧基羰基苯基)乙炔基]苯甲酸乙酯 在 [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 copper(II) acetate monohydrate 作用下， 以 间二甲苯 为溶剂， 反应 22.0h， 以76%的产率得到diethyl 4,4'-(naphtho[1,8-bc]pyran-2,3-diyl)diphenyldibenzoate
  参考文献：
  名称：

  Hydroxyl-Directed Ruthenium-Catalyzed C–H Bond Functionalization: Versatile Access to Fluorescent Pyrans

  摘要：

  Hydroxyl-assisted oxidative annulations of alkynes were accomplished with an inexpensive ruthenium(II) complex, delivering fluorescent pyrans via highly site selective as well as chemo- and regioselective C-H/O-H bond functionalizations.

  DOI：

  10.1021/ol301387t

文献信息

• Hydroxyl-Directed Ruthenium-Catalyzed C–H Bond Functionalization: Versatile Access to Fluorescent Pyrans
  作者：Vedhagiri S. Thirunavukkarasu、Margherita Donati、Lutz Ackermann

  DOI：10.1021/ol301387t

  日期：2012.7.6

  Hydroxyl-assisted oxidative annulations of alkynes were accomplished with an inexpensive ruthenium(II) complex, delivering fluorescent pyrans via highly site selective as well as chemo- and regioselective C-H/O-H bond functionalizations.