3-chloro-7-methoxy-9H-xanthen-9-one | 86456-13-5

• 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: 3-chloro-7-methoxy-9H-xanthen-9-one
• 英文别名: 6-chloro-2-methoxy-9H-xanthen-9-one；6-Chloro-2-methoxyxanthen-9-one
• CAS: 86456-13-5
• 化学式: C₁₄H₉ClO₃
• 分子量: 260.677
• InChiKey: DXTJVYRHSKNHJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-chloro-7-methoxy-9H-xanthen-9-one 在 三溴化硼 作用下， 以 二氯甲烷 、 1,2-二氯乙烷 为溶剂， 反应 10.0h， 以19.6 g的产率得到6-chloro-2-hydroxy-9H-xanthen-9-one
  参考文献：
  名称：

  AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES

  摘要：

  公开号：

  EP2842937B1
• 作为产物：
  描述：

  4-氯-2-氟苯腈 在 aluminum (III) chloride 、 palladium diacetate 、 sodium hydride 、 三氟乙酸 作用下， 以 二氯甲烷 、 二甲基亚砜 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 13.17h， 生成 3-chloro-7-methoxy-9H-xanthen-9-one
  参考文献：
  名称：

  AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES

  摘要：

  公开号：

  EP2842937B1

文献信息

• Microwave-Assisted, Yb(OTf)3 /TfOH Cocatalyzed Synthesis of Xanthones and Thioxanthones by Intramolecular Friedel-Crafts Reaction under Solvent-Free Conditions
  作者：Weike Su、Jie Li、Can Jin

  DOI：10.3987/com-11-12136

  日期：——

  An efficient method for the synthesis of biologically interesting xanthones and thioxanthones was achieved using Yb(OTf)(3)/TfOH as co-catalysts by a microwave radiation-mediated reaction. Both electron-rich and electron-poor substrates could be cyclized in good yields.
• Analogs of hycanthone and lucanthone as antitumor agents
  作者：Sydney Archer、Abdel Hadi Zayed、Rabindra Rej、Thomas A. Rugino

  DOI：10.1021/jm00363a007

  日期：1983.9

  Hycanthone analogues (5 and 6) containing 7-substituted hydroxyl groups were prepared and evaluated as antitumor agents. These compounds were significantly more active than the corresponding unsubstituted derivatives. The 7-hydroxylated 4-(hydroxymethyl)-9H-xanthen-9-ones, 11 and 12, were also active antitumor agents. However, the 7-hydroxy-9H-xanthen-9-one counterparts of the 7-hydroxylucanthones were totally devoid of antitumor activity. Results obtained thus far are consistent with the hypothesis that 4-hydroxymethyl substituents in the 9H-xanthen-9-one and 9H-thioxanthen-9-one series are required for antitumor activity.
• ARCHER, S.
  作者：ARCHER, S.

  DOI：——

  日期：——
• US4539412A
  申请人：——

  公开号：US4539412A

  公开（公告）日：1985-09-03
• US9657043B2
  申请人：——

  公开号：US9657043B2

  公开（公告）日：2017-05-23