3,3,3',3'-tetramethyl-2,3,3',4'-tetrahydro-1H,1'H-[4,9'-bixanthene]-1,1'(2'H,9'H)-dione | 1391824-43-3

• 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: 3,3,3',3'-tetramethyl-2,3,3',4'-tetrahydro-1H,1'H-[4,9'-bixanthene]-1,1'(2'H,9'H)-dione
• 英文别名: 4-(3,3-dimethyl-1-oxo-4,9-dihydro-2H-xanthen-9-yl)-3,3-dimethyl-2H-xanthen-1-one
• CAS: 1391824-43-3
• 化学式: C₃₀H₂₈O₄
• 分子量: 452.55
• InChiKey: MEWZBCPMWHSPSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  34
• 可旋转键数：
  1
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,3,4,9-tetrahydro-9-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)-3,3-dimethyl-1H-xanthen-1-one 在 manganese(II) chloride tetrahydrate 作用下， 以 乙醇 为溶剂， 反应 96.0h， 以60%的产率得到3,3,3',3'-tetramethyl-2,3,3',4'-tetrahydro-1H,1'H-[4,9'-bixanthene]-1,1'(2'H,9'H)-dione
  参考文献：
  名称：

  A simple route for the synthesis of 3,3,3′,3′-tetramethyl-2,3,3′,4′-tetrahydro-1H,1′H-[4,9′-bixanthene]-1,1′(2′H,9′H)-dione and its derivatives catalyzed by Mn2+ and other transition metal cations

  摘要：

  A simple and efficient unusual coupling reaction of 9-(2-hydroxy-4,4-dimethy1-6-oxocyclohex-1-en-1yl)-3,3-dimethyl-2,3,4,9-tetrahydro-1H-xanthen-l-one and its derivatives was accomplished in the presence of Mn2+, Cu2+, Cd2+, Hg2+, Fe-3, or La3+. The structure elucidation was accomplished by IR, H-1 NMR, C-13 NMR, X-ray crystallography, UV-Visible and elemental analysis. A reaction mechanism is proposed. Crown Copyright (C) 2012 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.05.116