2-amino-1-(4-chlorophenyl)-5-[2,2-dicyano-1-(ethyl-thio)vinyl]-4-methyl-6-oxo-1,6-dihydropyridine-3-carbonitrile | 1338704-22-5

• 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: 2-amino-1-(4-chlorophenyl)-5-[2,2-dicyano-1-(ethyl-thio)vinyl]-4-methyl-6-oxo-1,6-dihydropyridine-3-carbonitrile
• 英文别名: 2-[[6-Amino-1-(4-chlorophenyl)-5-cyano-4-methyl-2-oxopyridin-3-yl]-ethylsulfanylmethylidene]propanedinitrile；2-[[6-amino-1-(4-chlorophenyl)-5-cyano-4-methyl-2-oxopyridin-3-yl]-ethylsulfanylmethylidene]propanedinitrile
• CAS: 1338704-22-5
• 化学式: C₁₉H₁₄ClN₅OS
• 分子量: 395.872
• InChiKey: IXUYNXJSHGKZOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  143
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-(bis(ethylthio)methylene)-N-(4-chlorophenyl)-3-oxobutanamide 、 丙二腈 在 sodium methylate 作用下， 以 甲醇 为溶剂， 以78%的产率得到2-amino-1-(4-chlorophenyl)-5-[2,2-dicyano-1-(ethyl-thio)vinyl]-4-methyl-6-oxo-1,6-dihydropyridine-3-carbonitrile
  参考文献：
  名称：

  A facile and efficient synthesis of fully substituted pyridin-2(1H)-ones from α-oxoketene-S,S-acetals

  摘要：

  A facile and efficient synthesis of fully substituted pyridin-2(1H)-ones has been developed by the reaction of readily available alpha-oxoketene-S,S-acetals with malononitrile in the presence of sodium methoxide in methanol under reflux. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.08.066

文献信息

• A facile and efficient synthesis of fully substituted pyridin-2(1H)-ones from α-oxoketene-S,S-acetals
  作者：Xiuyun Yang、Yanyan Cheng、Fei Zhao、Yunhui Li、Yuanli Ding、Yongjiu Liang、Fengjiao Gan、Dewen Dong

  DOI：10.1016/j.tet.2011.08.066

  日期：2011.10

  A facile and efficient synthesis of fully substituted pyridin-2(1H)-ones has been developed by the reaction of readily available alpha-oxoketene-S,S-acetals with malononitrile in the presence of sodium methoxide in methanol under reflux. (C) 2011 Elsevier Ltd. All rights reserved.