6-Chloro-1-(3,4-dimethoxy-phenyl)-3-methoxy-10H-9-thia-4-aza-phenanthrene-2-carbonitrile | 135521-79-8

• 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: 6-Chloro-1-(3,4-dimethoxy-phenyl)-3-methoxy-10H-9-thia-4-aza-phenanthrene-2-carbonitrile
• 英文别名: 5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 9-chloro-4-(3,4-dimethoxyphenyl)-2-methoxy-；9-chloro-4-(3,4-dimethoxyphenyl)-2-methoxy-5H-thiochromeno[4,3-b]pyridine-3-carbonitrile
• CAS: 135521-79-8
• 化学式: C₂₂H₁₇ClN₂O₃S
• 分子量: 424.908
• InChiKey: LWERPPCFCWSRBF-UHFFFAOYSA-N

物化性质

• 沸点：
  617.1±55.0 °C(Predicted)
• 密度：
  1.42±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  89.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  甲醇 、 6-Chloro-3-[1-(3,4-dimethoxy-phenyl)-meth-(Z)-ylidene]-thiochroman-4-one 、 丙二腈 在 sodium hydroxide 作用下， 反应 16.0h， 以22.9%的产率得到6-Chloro-1-(3,4-dimethoxy-phenyl)-3-methoxy-10H-9-thia-4-aza-phenanthrene-2-carbonitrile
  参考文献：
  名称：

  The synthesis and antifungal activity of 2-amino-4-aryl-4H,5H-[1]benzothiopyrano[4,3-b]pyran-3-carbonitriles and 2-alkoxy-4-aryl-5H-[1]benzothiopyrano[4,3-b]pyridine-3-carbonitriles

  摘要：

  This paper describes the synthesis of a series of 2-amino-4-aryl-4H, 5H-[1]benzothiopyrano[4,3-b]pyran-3-carbonitriles and 2-alkoxy-4-aryl-5H-[1]benzothiopyrano[4,3-b]pyridine-3-carbonitriles. All of these products were studied for antifungal activity and many of these compounds displayed good activity against Cryptococcus neoformans. Torulopsis glabrata, and Trichosporon cutaneum.

  DOI：

  10.1016/0223-5234(91)90033-j

文献信息

• The synthesis and antifungal activity of 2-amino-4-aryl-4H,5H-[1]benzothiopyrano[4,3-b]pyran-3-carbonitriles and 2-alkoxy-4-aryl-5H-[1]benzothiopyrano[4,3-b]pyridine-3-carbonitriles
  作者：TA Nakib、V Bezjak、S Rashid、B Fullam、MJ Meegan

  DOI：10.1016/0223-5234(91)90033-j

  日期：1991.3

  This paper describes the synthesis of a series of 2-amino-4-aryl-4H, 5H-[1]benzothiopyrano[4,3-b]pyran-3-carbonitriles and 2-alkoxy-4-aryl-5H-[1]benzothiopyrano[4,3-b]pyridine-3-carbonitriles. All of these products were studied for antifungal activity and many of these compounds displayed good activity against Cryptococcus neoformans. Torulopsis glabrata, and Trichosporon cutaneum.