6-(2,4-dichlorophenyl)-3-cyanopyridine-2-(1H)-thione | 709644-85-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 6-(2,4-dichlorophenyl)-3-cyanopyridine-2-(1H)-thione
• 英文别名: 6-(2,4-dichlorophenyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
• CAS: 709644-85-9
• 化学式: C₁₂H₆Cl₂N₂S
• mdl: MFCD19388634
• 分子量: 281.165
• InChiKey: KDANTFUXYJLEAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  67.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2,4-二氯苯乙酮 在 三乙烯二胺 作用下， 以 乙醇 为溶剂， 生成 6-(2,4-dichlorophenyl)-3-cyanopyridine-2-(1H)-thione
  参考文献：
  名称：

  Facile Synthesis of 6-Aryl-3-cyanopyridine-2-(1H)-thiones from Aryl Ketones

  摘要：

  An improved synthesis of 6-aryl-3-cyanopyridine-2-(1H)-thiones utilizing enaminones as starting materials catalyzed by 1,4-diazabicyclo[2.2.2] octane (DABCO) was described. Moreover, a convenient one-pot conversion of aryl ketones to 6-aryl-3-cyanopyridine- 2-(1H)-thiones was also developed in moderate to good yields (up to 80%).

  DOI：

  10.1080/00397911.2010.541964

文献信息

• Facile Synthesis of 6-Aryl-3-cyanopyridine-2-(1<i>H</i>)-thiones from Aryl Ketones
  作者：Ren-Lin Zheng、Xiu-Xiu Zeng、Hai-Yun He、Jun He、Sheng-Yong Yang、Luo-Ting Yu、Li Yang

  DOI：10.1080/00397911.2010.541964

  日期：2012.5.15

  An improved synthesis of 6-aryl-3-cyanopyridine-2-(1H)-thiones utilizing enaminones as starting materials catalyzed by 1,4-diazabicyclo[2.2.2] octane (DABCO) was described. Moreover, a convenient one-pot conversion of aryl ketones to 6-aryl-3-cyanopyridine- 2-(1H)-thiones was also developed in moderate to good yields (up to 80%).