2-(3'-甲氧基-4'-羟基苄亚基)环戊烯-1,3-二酮 | 55776-43-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 2-(3'-甲氧基-4'-羟基苄亚基)环戊烯-1,3-二酮
• 英文名称: 2-(3'-Methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione
• 英文别名: 2-[(4-hydroxy-3-methoxyphenyl)methylidene]cyclopent-4-ene-1,3-dione
• CAS: 55776-43-7
• 化学式: C₁₃H₁₀O₄
• 分子量: 230.22
• InChiKey: ANRJXDLUSYOZDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-环戊烯-1,3-二酮 、 香草醛 在 对甲苯磺酸 作用下， 以 二氯甲烷 为溶剂， 生成 2-(3'-甲氧基-4'-羟基苄亚基)环戊烯-1,3-二酮
  参考文献：
  名称：

  Structure and antitumor activity relation of 2-arylidene-4-cyclopentene-1,3-diones and 2-arylideneindan-1,3-diones

  摘要：

  A series of 2-arylidene-4-cyclopentene-1,3-diones and 2-arylideneindan-1,3-diones, as well as mono- and bis(arylidene substituted)cycloalkanones, was synthesized and examined for antitumor activity against ascites sarcoma-180. All the 2-arylidene-4-cyclopentene-1,3-diones and one arylideneindan-1,3-dione (where the arylidene group was either a hydroxybenzylidene or substituted hydroxybenzylidene) exhibited a high degree of activity. Among both types of 1,3-diones and 3-methoxy-4-hydroxybenzylidene derivatives were found to possess the greatest potency, while all the mono- and bis(arylidene)cycloalkanones were found to be inactive.

  DOI：

  10.1021/jm00225a022

文献信息

• Structure and antitumor activity relation of 2-arylidene-4-cyclopentene-1,3-diones and 2-arylideneindan-1,3-diones
  作者：Seiichi Inayama、Katsuhiro Mamoto、Tetsuichi Shibata、Tadaaki Hirose

  DOI：10.1021/jm00225a022

  日期：1976.3

  A series of 2-arylidene-4-cyclopentene-1,3-diones and 2-arylideneindan-1,3-diones, as well as mono- and bis(arylidene substituted)cycloalkanones, was synthesized and examined for antitumor activity against ascites sarcoma-180. All the 2-arylidene-4-cyclopentene-1,3-diones and one arylideneindan-1,3-dione (where the arylidene group was either a hydroxybenzylidene or substituted hydroxybenzylidene) exhibited a high degree of activity. Among both types of 1,3-diones and 3-methoxy-4-hydroxybenzylidene derivatives were found to possess the greatest potency, while all the mono- and bis(arylidene)cycloalkanones were found to be inactive.