1,8-dihydroxy-9-anthron-10-yl radical | 103424-66-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 1,8-dihydroxy-9-anthron-10-yl radical
• 英文别名: <10-(12)C>dithranol-radical；1,8-dihydroxy-9-anthron-2-yl radical
• CAS: 103424-66-4
• 化学式: C₁₄H₉O₃
• 分子量: 225.224
• InChiKey: CPXZLMYENSXLIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  41.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  地蒽酚 以 xylene 为溶剂， 生成 1,8-dihydroxy-9-anthron-10-yl radical
  参考文献：
  名称：

  Lambelet, Pierre; Prior, Elizabeth; Loeliger, Juerg, Journal of the Chemical Society. Perkin transactions II, 1990, # 9, p. 1509 - 1513

  摘要：

  DOI：

文献信息

• Anthralin:  Primary Products of Its Redox Reactions
  作者：Malgorzata Czerwinska、Adam Sikora、Piotr Szajerski、Jacek Zielonka、Jan Adamus、Andrzej Marcinek、Krzysztof Piech、Pawel Bednarek、Thomas Bally

  DOI：10.1021/jo060622o

  日期：2006.7.1

  One-electron reduction significantly enhances the ability of anthralin, 1, to act as a hydrogen atom donor. On annealing of an MTHF glass in which the radical anion of anthralin, 1(center dot-), is generated radiolytically, this species decays mainly by loss of H-center dot to give the anthralyl anion, 2(-). On the other hand, radicals formed on radiolysis of matrices that are suitable for the generation of radical anions or cations are capable to abstract H-center dot from anthralin to give the anthralyl radical, 2(center dot). Both 2(-) and 2(center dot) are obtained simultaneously by mesolytic cleavage of the radical anion of the anthralin dimer. Contrary to general assumptions, the anthralyl radical is found to be much more reactive toward oxygen than the anion. All intermediates are characterized spectroscopically and by reference to quantum chemical calculations. Attempts to generate the radical cation of anthralin by X-irradiation of an Ar matrix containing anthralin led also to significant formation of its radical anion, i.e., anthralin acts apparently as an efficient electron trap in such experiments.
• Generation and E.S.R. Spectrum of the 1,8-dihydroxy-9-anthron-10-yl radical
  作者：Alwyn G. Davies、Jalal A-A Hawari、Martin Whitefield

  DOI：10.1016/s0040-4039(00)85928-6

  日期：1983.1
• Lambelet, Pierre; Prior, Elizabeth; Loeliger, Juerg, Journal of the Chemical Society. Perkin transactions II, 1990, # 9, p. 1509 - 1513
  作者：Lambelet, Pierre、Prior, Elizabeth、Loeliger, Juerg、Shroot, Braham

  DOI：——

  日期：——