14-(6-sec-butyl-8,12,13-trioxa-tricyclo[8.2.1.0(2,7)]trideca-2(7),3,5-trien-4-yl)-14H-dibenzo[a,j]xanthene | 1381864-08-9

• 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: 14-(6-sec-butyl-8,12,13-trioxa-tricyclo[8.2.1.0(2,7)]trideca-2(7),3,5-trien-4-yl)-14H-dibenzo[a,j]xanthene
• 英文别名: 2-(6-Butan-2-yl-8,12,13-trioxatricyclo[8.2.1.02,7]trideca-2(7),3,5-trien-4-yl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene；2-(6-butan-2-yl-8,12,13-trioxatricyclo[8.2.1.02,7]trideca-2(7),3,5-trien-4-yl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
• CAS: 1381864-08-9
• 化学式: C₃₅H₃₀O₄
• 分子量: 514.621
• InChiKey: XGMDNHDSYMXSCX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  39
• 可旋转键数：
  3
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-仲丁基苯酚 在 碘 、 三乙胺 、 三氟乙酸 作用下， 反应 9.25h， 生成 14-(6-sec-butyl-8,12,13-trioxa-tricyclo[8.2.1.0(2,7)]trideca-2(7),3,5-trien-4-yl)-14H-dibenzo[a,j]xanthene
  参考文献：
  名称：

  A new iodine catalyzed regioselective synthesis of xanthene synthons

  摘要：

  This Letter describes the iodine catalyzed one-pot regioselective synthesis of p-condensed xanthenes as our key point of transformation, which provides an efficient access to five skeletally diverse scaffolds in excellent yields. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.04.061

文献信息

• A new iodine catalyzed regioselective synthesis of xanthene synthons
  作者：Koneni V. Sashidhara、Abdhesh Kumar、Ranga Prasad Dodda、Bikash Kumar

  DOI：10.1016/j.tetlet.2012.04.061

  日期：2012.6

  This Letter describes the iodine catalyzed one-pot regioselective synthesis of p-condensed xanthenes as our key point of transformation, which provides an efficient access to five skeletally diverse scaffolds in excellent yields. (C) 2012 Elsevier Ltd. All rights reserved.