3-acetyl-6-chloro-4-hydroxy-7-methylcoumarin | 104996-72-7

• 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: 3-acetyl-6-chloro-4-hydroxy-7-methylcoumarin
• 英文别名: 3-Acetyl-6-chloro-4-hydroxy-7-methylchromen-2-one；3-acetyl-6-chloro-4-hydroxy-7-methylchromen-2-one
• CAS: 104996-72-7
• 化学式: C₁₂H₉ClO₄
• 分子量: 252.654
• InChiKey: CEBRRHWARADKRZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-acetyl-6-chloro-4-hydroxy-7-methylcoumarin 、 间苯氧基苯甲醛 在 哌啶 作用下， 以 氯仿 为溶剂， 反应 1.5h， 以69%的产率得到6-chloro-4-hydroxy-7-methyl-3-[(2E)-3-(3-phenoxyphenyl)prop-2-enoyl]-2(H)-chromen-2-one
  参考文献：
  名称：

  Improved and rapid synthesis of new coumarinyl chalcone derivatives and their antiviral activity

  摘要：

  Two closely structurally related coumarins, 4-hydroxy-8-isopropyl-5-methylcoumarin and 4-hydroxy-6-chloro-7-methylcoumarin were acylated at C-3 and further converted to the respective chalcones and two series of eighteen new compounds, which were evaluated for possible antiviral activity. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.09.175
• 作为产物：
  描述：

  溶剂黄146 、 6-氯-4-羟基-7-甲基香豆素 在 三氯氧磷 作用下， 生成 3-acetyl-6-chloro-4-hydroxy-7-methylcoumarin
  参考文献：
  名称：

  Improved and rapid synthesis of new coumarinyl chalcone derivatives and their antiviral activity

  摘要：

  Two closely structurally related coumarins, 4-hydroxy-8-isopropyl-5-methylcoumarin and 4-hydroxy-6-chloro-7-methylcoumarin were acylated at C-3 and further converted to the respective chalcones and two series of eighteen new compounds, which were evaluated for possible antiviral activity. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.09.175

文献信息

• Improved and rapid synthesis of new coumarinyl chalcone derivatives and their antiviral activity
  作者：Jalpa C. Trivedi、Jitender B. Bariwal、Kuldip D. Upadhyay、Yogesh T. Naliapara、Sudhir K. Joshi、Christophe C. Pannecouque、Erik De Clercq、Anamik K. Shah

  DOI：10.1016/j.tetlet.2007.09.175

  日期：2007.11

  Two closely structurally related coumarins, 4-hydroxy-8-isopropyl-5-methylcoumarin and 4-hydroxy-6-chloro-7-methylcoumarin were acylated at C-3 and further converted to the respective chalcones and two series of eighteen new compounds, which were evaluated for possible antiviral activity. (c) 2007 Elsevier Ltd. All rights reserved.