2-methyl-13H-5,12-dioxa-7-mercura-benzo[4,5]cyclohepta[1,2-a]naphthalene-6-one | 1252026-34-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 2-methyl-13H-5,12-dioxa-7-mercura-benzo[4,5]cyclohepta[1,2-a]naphthalene-6-one
• CAS: 1252026-34-8
• 化学式: C₁₇H₁₂HgO₃
• 分子量: 464.87
• InChiKey: URCILLKTKHEEPA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.03
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  41.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-(2-chloromercury-phenoxymethyl)-6-methyl-chromene-2-one 在 potassium carbonate 、 Al₂O₃ 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 为溶剂， 以80%的产率得到2-methyl-13H-5,12-dioxa-7-mercura-benzo[4,5]cyclohepta[1,2-a]naphthalene-6-one
  参考文献：
  名称：

  Synthesis of novel mercury heterocycles

  摘要：

  Ortho-mercurated 4-aryloxymethylcoumarins and 1-azacoumarins have been found to undergo smooth intramolecular metalation in refluxing xylene in the presence of activated neutral alumina and anhydrous potassium carbonate. This is the first report on the synthesis of heterocycles not possessing a metal heteroatom linkage. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2010.07.010

文献信息

• Synthesis of novel mercury heterocycles
  作者：Naazneen B. Yaragatti、Manohar V. Kulkarni

  DOI：10.1016/j.poly.2010.07.010

  日期：2010.9

  Ortho-mercurated 4-aryloxymethylcoumarins and 1-azacoumarins have been found to undergo smooth intramolecular metalation in refluxing xylene in the presence of activated neutral alumina and anhydrous potassium carbonate. This is the first report on the synthesis of heterocycles not possessing a metal heteroatom linkage. (C) 2010 Elsevier Ltd. All rights reserved.