[8-bromo-4-(4-methoxyphenyl)-4H-[1,3]dithiolo[4,5-c]chromen-2-ylidene]-diethylazanium;tetrafluoroborate | 1609114-03-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: [8-bromo-4-(4-methoxyphenyl)-4H-[1,3]dithiolo[4,5-c]chromen-2-ylidene]-diethylazanium;tetrafluoroborate
• CAS: 1609114-03-5
• 化学式: BF₄*C₂₁H₂₁BrNO₂S₂
• 分子量: 550.244
• InChiKey: SUXQHLCZTSXZPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.84
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  [6-bromo-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] N,N-diethylcarbamodithioate 、 氟硼酸钾 在 硫酸 、 溶剂黄146 作用下， 以 水 为溶剂， 反应 0.17h， 以76%的产率得到[8-bromo-4-(4-methoxyphenyl)-4H-[1,3]dithiolo[4,5-c]chromen-2-ylidene]-diethylazanium;tetrafluoroborate
  参考文献：
  名称：

  The antibacterial properties of sulfur containing flavonoids

  摘要：

  Some dithiocarbamic esters bearing a flavanone backbone, as well as their corresponding 1,3-dithiolium salts were tested against Staphylococcus aureus and Escherichia coli. The 1,3-dithiolium tricyclic flavonoids display good inhibitory properties against both Gram-positive and Gram-negative pathogens. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.03.071

文献信息

• The antibacterial properties of sulfur containing flavonoids
  作者：Lucian G. Bahrin、Mircea O. Apostu、Lucian M. Birsa、Marius Stefan

  DOI：10.1016/j.bmcl.2014.03.071

  日期：2014.5

  Some dithiocarbamic esters bearing a flavanone backbone, as well as their corresponding 1,3-dithiolium salts were tested against Staphylococcus aureus and Escherichia coli. The 1,3-dithiolium tricyclic flavonoids display good inhibitory properties against both Gram-positive and Gram-negative pathogens. (C) 2014 Elsevier Ltd. All rights reserved.