6-chloro-7'-hydroxy-2H,2'H-3,4'-bichromene-2,2'-dione | 869079-45-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 6-chloro-7'-hydroxy-2H,2'H-3,4'-bichromene-2,2'-dione
• 英文别名: 4-(6-chloro-2-oxochromen-3-yl)-7-hydroxychromen-2-one
• CAS: 869079-45-8
• 化学式: C₁₈H₉ClO₅
• 分子量: 340.719
• InChiKey: HSKMQEHVQHNFRZ-UHFFFAOYSA-N

物化性质

• 沸点：
  621.4±55.0 °C(Predicted)
• 密度：
  1.590±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N,N'-dibutyl-N,N'-dimethylmethanediamine 、 6-chloro-7'-hydroxy-2H,2'H-3,4'-bichromene-2,2'-dione 以 1,4-二氧六环 为溶剂， 以56%的产率得到8'-{[butyl(methyl)ammonio]methyl}-6-chloro-2,2'-dioxo-2H,2'H-3,4'-bichromen-7'-olate
  参考文献：
  名称：

  Chemistry of 3-hetarylcoumarins 3*. Synthesis and aminomethylation of 7′-hydroxy-3,4′- bicoumarins

  摘要：

  An improved procedure for the synthesis of 7'-hydroxy-3,4'-bicoumarins has been developed. Their 8'-aminomethyl derivatives were obtained by interaction with aminals.

  DOI：

  10.1007/s10593-012-1009-z
• 作为产物：
  描述：

  甲基(7-羟基-2-氧代-2H-苯并吡喃-4-基)乙酸酯 、 5-氯代水杨醛 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 1,4-二氧六环 为溶剂， 以58%的产率得到6-chloro-7'-hydroxy-2H,2'H-3,4'-bichromene-2,2'-dione
  参考文献：
  名称：

  Chemistry of 3-hetarylcoumarins 3*. Synthesis and aminomethylation of 7′-hydroxy-3,4′- bicoumarins

  摘要：

  An improved procedure for the synthesis of 7'-hydroxy-3,4'-bicoumarins has been developed. Their 8'-aminomethyl derivatives were obtained by interaction with aminals.

  DOI：

  10.1007/s10593-012-1009-z

文献信息

• SMALL COMPOUNDS TARGETING TACC3
  申请人：JAPANESE FOUNDATION FOR CANCER RESEARCH

  公开号：US20150111888A1

  公开（公告）日：2015-04-23

  The present invention provides a small compound targeting at TACC3. The present invention further provides a drug, particularly, an anticancer agent, comprising the small compound targeting at TACC3. A compound represented by the general formula (I) or a pharmaceutically acceptable salt, solvate, or ester derivative thereof binds to TACC3 and inhibits cell growth. Thus, these compounds can be used as drugs, particularly, anticancer agents.
• US9630953B2
  申请人：——

  公开号：US9630953B2

  公开（公告）日：2017-04-25