2-{[4-(Benzyloxy)-3-methoxyphenyl]methylidene}cyclopent-4-ene-1,3-dione | 58161-70-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-{[4-(Benzyloxy)-3-methoxyphenyl]methylidene}cyclopent-4-ene-1,3-dione
• 英文别名: 2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]cyclopent-4-ene-1,3-dione
• CAS: 58161-70-9
• 化学式: C₂₀H₁₆O₄
• 分子量: 320.345
• InChiKey: YYPWEQGBYXJBJL-UHFFFAOYSA-N

物化性质

• 沸点：
  541.3±50.0 °C(Predicted)
• 密度：
  1.273±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-苄氧基-3-甲氧基苯甲醛 、 4-环戊烯-1,3-二酮 在 对甲苯磺酸 作用下， 以 二氯甲烷 为溶剂， 生成 2-{[4-(Benzyloxy)-3-methoxyphenyl]methylidene}cyclopent-4-ene-1,3-dione
  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.