2-(2,5-Dimethylbenzoyl)-3,6-difluorobenzoic acid | 403509-28-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(2,5-Dimethylbenzoyl)-3,6-difluorobenzoic acid
• CAS: 403509-28-4
• 化学式: C₁₆H₁₂F₂O₃
• 分子量: 290.266
• InChiKey: QNCZXLUCUJRNGO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(2,5-Dimethylbenzoyl)-3,6-difluorobenzoic acid 在 硫酸 作用下， 以 二甲基亚砜 为溶剂， 反应 2.0h， 生成 1,4-dimethyl-5-pyrrolidino-8-fluoro-9,10-anthracenedione
  参考文献：
  名称：

  Synthesis and biological evaluation of some differently substituted 9,10-anthracenediones

  摘要：

  9,10-Anthracenedione derivatives are known to exhibit a quite potent anticancer activity. It has also been reported that these compounds can be effectively employed in both antibacterial and antitrypanosomal therapy. Anthraquinones also exhibit some undesirable side effects, like cardiotoxicity. So many interactions seem to demonstrate that 9,10-anthracenediones strongly interact with a number of biological sites. In this paper we wish to report on the synthesis and the pharmaceutical activity of some newly synthesised derivatives containing the anthraquinone pharmacophore. (C) 2001 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(01)01082-5
• 作为产物：
  描述：

  3,6-二氟邻苯二甲酸酐 、 对二甲苯 在 三氯化铝 作用下， 反应 12.0h， 以72.8%的产率得到2-(2,5-Dimethylbenzoyl)-3,6-difluorobenzoic acid
  参考文献：
  名称：

  Synthesis and biological evaluation of some differently substituted 9,10-anthracenediones

  摘要：

  9,10-Anthracenedione derivatives are known to exhibit a quite potent anticancer activity. It has also been reported that these compounds can be effectively employed in both antibacterial and antitrypanosomal therapy. Anthraquinones also exhibit some undesirable side effects, like cardiotoxicity. So many interactions seem to demonstrate that 9,10-anthracenediones strongly interact with a number of biological sites. In this paper we wish to report on the synthesis and the pharmaceutical activity of some newly synthesised derivatives containing the anthraquinone pharmacophore. (C) 2001 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(01)01082-5

文献信息

• Synthesis and biological evaluation of some differently substituted 9,10-anthracenediones
  作者：Maria Cristina Cardia、Michela Begala、Alessandro DeLogu、Elias Maccioni

  DOI：10.1016/s0014-827x(01)01082-5

  日期：2001.8

  9,10-Anthracenedione derivatives are known to exhibit a quite potent anticancer activity. It has also been reported that these compounds can be effectively employed in both antibacterial and antitrypanosomal therapy. Anthraquinones also exhibit some undesirable side effects, like cardiotoxicity. So many interactions seem to demonstrate that 9,10-anthracenediones strongly interact with a number of biological sites. In this paper we wish to report on the synthesis and the pharmaceutical activity of some newly synthesised derivatives containing the anthraquinone pharmacophore. (C) 2001 Elsevier Science S.A. All rights reserved.