2-(4-phenylthiazol-2-yl)thioacetamide | 402954-52-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(4-phenylthiazol-2-yl)thioacetamide
• 英文别名: 2-(4-Phenyl-1,3-thiazol-2-yl)ethanethioamide
• CAS: 402954-52-3
• 化学式: C₁₁H₁₀N₂S₂
• mdl: MFCD02932265
• 分子量: 234.346
• InChiKey: SSYYFONFBSKVFR-UHFFFAOYSA-N

物化性质

• 沸点：
  414.8±47.0 °C(Predicted)
• 密度：
  1.309±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  99.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(4-phenylthiazol-2-yl)thioacetamide 在 哌啶 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  A simple one-pot synthesis of new 4-unsubstituted 2-oxo(thioxo)-1,2-dihydropyridine-3-carbonitriles, -3-carboxamides, and -3-carboxylic acid esters and 2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitriles

  摘要：

  One-pot condensations of formaldehyde with CH acids and enamines afforded new 4-unsubstituted derivatives of 2-oxo(thioxo)-1,2-dihydropyridine-3-carbonitrile, 2-oxo(thioxo)-1,2-dihydropyridine-3-carboxamide, ethyl 2-oxo(thioxo)-1,2-dihydropyridine-3-carboxylate, and 2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3- carbonitrile, which were subjected to alkylation.

  DOI：

  10.1134/s1070428015090146

文献信息

• Synthesis and alkylation of new functionally substituted 4,4-dimethylpiperidin-2-ones
  作者：V. D. Dyachenko、A. A. Nikishin、I. E. Dyachenko

  DOI：10.1134/s1070428011080161

  日期：2011.8

  The reaction of ethyl isopropylidenecyanoacetate with ethyl 3-amino-3-thioxopropanoate gave rise to ethyl 4,4-dimethyl-6-oxo-2-thioxo-5-cyanopiperidine-3-carboxylate whose alkylation provided ethyl 2-benzylsulfanyl-4,4-dimethyl-6-oxo-5-cyano-1,4,5,6-tetrahydropyridine-3-carboxylate, ethyl 5-benzyl-2-benzylsulfanyl-4,4-dimethyl-6-oxo-5-cyano-1,4,5,6-tetrahydropyridine-3-carboxylate, and ethyl 7,7-dimethyl-5-oxo-6-cyano-3,5,6,7-tetrahydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate.