ethyl 8-sec-butyl-6-(14H-dibenzo[a,j]xanthen-14-yl)-2-oxo-2H-chromene-3-carboxylate | 1381863-99-5

• 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: ethyl 8-sec-butyl-6-(14H-dibenzo[a,j]xanthen-14-yl)-2-oxo-2H-chromene-3-carboxylate
• 英文别名: Ethyl 8-butan-2-yl-6-(13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-2-yl)-2-oxochromene-3-carboxylate；ethyl 8-butan-2-yl-6-(13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-2-yl)-2-oxochromene-3-carboxylate
• CAS: 1381863-99-5
• 化学式: C₃₇H₃₀O₅
• 分子量: 554.642
• InChiKey: NEZWANVOIZRZKN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.5
• 重原子数：
  42
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.19
• 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：

  2-仲丁基苯酚 在 哌啶 、 碘 、 三氟乙酸 作用下， 以 乙醇 为溶剂， 反应 8.5h， 生成 ethyl 8-sec-butyl-6-(14H-dibenzo[a,j]xanthen-14-yl)-2-oxo-2H-chromene-3-carboxylate
  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.