7-methoxy-4-[(4-methylphenylthio)methyl]-2H-chromen-2-one | 1208666-58-3

• 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: 7-methoxy-4-[(4-methylphenylthio)methyl]-2H-chromen-2-one
• 英文别名: 7-Methoxy-4-[(4-methylphenyl)sulfanylmethyl]chromen-2-one
• CAS: 1208666-58-3
• 化学式: C₁₈H₁₆O₃S
• 分子量: 312.389
• InChiKey: GWNLELRQTRPHDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  60.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7-methoxy-4-[(4-methylphenylthio)methyl]-2H-chromen-2-one 在 potassium permanganate 作用下， 以 水 、 丙酮 为溶剂， 反应 2.0h， 以65%的产率得到4-[(4'-methylphenyl)sulfonylmethyl]-7-methoxy-2H-chromen-2-one
  参考文献：
  名称：

  Synthesis and in vitro antitubercular activity of 4-aryl/alkylsulfonylmethylcoumarins as inhibitors of Mycobacterium tuberculosis

  摘要：

  A series of 4-aryl/alkylsulfonylmethylcoumarins have been synthesized and screened for in vitro antitubercular activity against Mycobacterium tuberculosis H(37)Rv (MTB). Four of the compounds showed MIC in the range of 0.78-3.13 mu g/mL proving their potential activity. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.05.054
• 作为产物：
  描述：

  7-甲氧基-4-甲基香豆素 在 N-溴代丁二酰亚胺(NBS) 、 过氧化苯甲酰 作用下， 以 四氯化碳 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 7-methoxy-4-[(4-methylphenylthio)methyl]-2H-chromen-2-one
  参考文献：
  名称：

  Synthesis and in vitro antitubercular activity of 4-aryl/alkylsulfonylmethylcoumarins as inhibitors of Mycobacterium tuberculosis

  摘要：

  A series of 4-aryl/alkylsulfonylmethylcoumarins have been synthesized and screened for in vitro antitubercular activity against Mycobacterium tuberculosis H(37)Rv (MTB). Four of the compounds showed MIC in the range of 0.78-3.13 mu g/mL proving their potential activity. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.05.054

文献信息

• Synthesis and in vitro antitubercular activity of 4-aryl/alkylsulfonylmethylcoumarins as inhibitors of Mycobacterium tuberculosis
  作者：Malaichamy Jeyachandran、Penugonda Ramesh、Dharmarajan Sriram、Palaniappan Senthilkumar、Perumal Yogeeswari

  DOI：10.1016/j.bmcl.2012.05.054

  日期：2012.7

  A series of 4-aryl/alkylsulfonylmethylcoumarins have been synthesized and screened for in vitro antitubercular activity against Mycobacterium tuberculosis H(37)Rv (MTB). Four of the compounds showed MIC in the range of 0.78-3.13 mu g/mL proving their potential activity. (C) 2012 Elsevier Ltd. All rights reserved.