8-acetyl-6-chloro-7-hydroxy-4-methyl-coumarin | 496784-49-7

• 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: 8-acetyl-6-chloro-7-hydroxy-4-methyl-coumarin
• 英文别名: 8-Acetyl-6-chlor-7-hydroxy-4-methyl-cumarin；8-Acetyl-6-chloro-7-hydroxy-4-methylchromen-2-one
• CAS: 496784-49-7
• 化学式: C₁₂H₉ClO₄
• 分子量: 252.654
• InChiKey: GXWNWFJGDCTNPB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 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：

  8-acetyl-6-chloro-7-hydroxy-4-methyl-coumarin 在 羟胺 作用下， 生成 6-chloro-7-hydroxy-8-(1-hydroxyimino-ethyl)-4-methyl-coumarin
  参考文献：
  名称：

  Setalvad; Shah, Journal of the Indian Chemical Society, 1954, vol. 31, p. 600,604

  摘要：

  DOI：
• 作为产物：
  描述：

  6-chloro-4-methyl-2-oxo-2H-chromen-7-yl acetate 在 三氯化铝 作用下， 生成 8-acetyl-6-chloro-7-hydroxy-4-methyl-coumarin
  参考文献：
  名称：

  Limaye; Panse, Rasayanam, 1950, vol. 2, p. 27,30

  摘要：

  DOI：

文献信息

• Limaye; Panse, Rasayanam, 1950, vol. 2, p. 27,30
  作者：Limaye、Panse

  DOI：——

  日期：——
• Microwave-assisted synthesis of substituted 4-chloro-8-methyl-2-phenyl-1,5-dioxa-2H-phenanthren-6-ones and their antimicrobial activity
  作者：D. Ashok、B. Vijaya Lakshmi、S. Ravi、A. Ganesh

  DOI：10.1007/s00044-014-1204-9

  日期：2015.4

  Chromene and coumarin scaffolds are known for their potential antimicrobial activity. Herein, we have synthesized hybrid compounds containing both, substituted 4-chloro-8-methyl-2-phenyl-1,5-dioxa-2H-phenanthren-6-ones, 3a-o have been synthesized from substituted (E)-1-(7-Hydroxy-4-methyl-8-coumarinyl)-3-phenyl-2-propen-1-ones, 2a-o in good yield using the microwave-assisted Vilsmeier-Haack reaction. All the synthesized compounds were tested in vitro for their antimicrobial activity. The compounds 3e, 3f and 3g were found to be potent against tested fungal and bacterial strains.
• Setalvad; Shah, Journal of the Indian Chemical Society, 1953, vol. 30, p. 373,377
  作者：Setalvad、Shah

  DOI：——

  日期：——
• Setalvad; Shah, Journal of the Indian Chemical Society, 1954, vol. 31, p. 600,604
  作者：Setalvad、Shah

  DOI：——

  日期：——