2-Ethyl-6-(4-methyl-pentyl)-naphtho[2,3-b]furan-4,9-dione | 915093-51-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并呋喃类
• 英文名称: 2-Ethyl-6-(4-methyl-pentyl)-naphtho[2,3-b]furan-4,9-dione
• 英文别名: 2-Ethyl-6-(4-methylpentyl)naphtho[2,3-b]furan-4,9-dione；2-ethyl-6-(4-methylpentyl)benzo[f][1]benzofuran-4,9-dione
• CAS: 915093-51-5
• 化学式: C₂₀H₂₂O₃
• 分子量: 310.393
• InChiKey: LYJPRXJTZYDLBH-UHFFFAOYSA-N

物化性质

• 沸点：
  458.0±45.0 °C(Predicted)
• 密度：
  1.133±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  47.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  月桂烯 、 2,5-二氯-1,4-苯醌 、 乙酸酐 、 正丁醛 生成 2-Ethyl-7-(4-methyl-pentyl)-naphtho[2,3-b]furan-4,9-dione 、 2-Ethyl-6-(4-methyl-pentyl)-naphtho[2,3-b]furan-4,9-dione
  参考文献：
  名称：

  New cytotoxic furoquinones obtained from terpenyl-1,4-naphthoquinones and 1,4-anthracenediones

  摘要：

  A series of new furoterpenyl-1,4-naphtho(anthra)quinones have been prepared via oxidative cyclization of the corresponding 2-hydroxy-3-butenyl-1,4-naphtho(anthra)quinones. Depending on the reaction conditions the 1,2-quinones or the 1,4-quinones were obtained. Several new furo-1,4-anthraquinones were also obtained by condensation of 2,3-dichloroquinones with 1,3-dicarbonyls. The compounds synthesized have been evaluated for their cytotoxicity against neoplastic cell lines, some of them being effective below the micromolar level. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.06.053