[4-(4-chlorophenyl)-6,8-diiodo-4H-[1,3]dithiolo[4,5-c]chromen-2-ylidene]-diethylazanium;perchlorate | 1423502-25-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: [4-(4-chlorophenyl)-6,8-diiodo-4H-[1,3]dithiolo[4,5-c]chromen-2-ylidene]-diethylazanium;perchlorate
• CAS: 1423502-25-3
• 化学式: C₂₀H₁₇ClI₂NOS₂*ClO₄
• 分子量: 740.206
• InChiKey: HMXXVZGHHMNXRQ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.19
• 重原子数：
  32
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  137
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  在 硫酸 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 2.17h， 生成 [4-(4-chlorophenyl)-6,8-diiodo-4H-[1,3]dithiolo[4,5-c]chromen-2-ylidene]-diethylazanium;perchlorate
  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

• Tricyclic flavonoids with 1,3-dithiolium substructure
  作者：Lucian G Bahrin、Peter G Jones、Henning Hopf

  DOI：10.3762/bjoc.8.226

  日期：——

  The synthesis of new 3-dithiocarbamic flavonoids has been accomplished by the reaction of the corresponding 2-hydroxyaryl dithiocarbamates with aminals. These flavonoids were obtained as a mixture of diastereoisomers, the anti isomer being the major one. The heterocyclization of these compounds provided novel tricyclic flavonoids bearing a 1,3-dithiolium-2-yl ring fused at the 3,4-carbon positions of the benzopyran moiety.

  通过将相应的2-羟基芳基二硫代氨基甲酸酯与氨基醛反应，成功合成了新的3-二硫代氨基甲酸黄酮类化合物。这些黄酮类化合物是由对映异构体的混合物组成，其中反式异构体是主要的。这些化合物的杂环化反应提供了新型三环黄酮类化合物，其1,3-二硫杂环丙基-2-基环与苯并吡喃基的3,4-碳位置融合。
• 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.