N-thioacetylpropanamide | 2905-39-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫代酰胺
• 英文名称: N-thioacetylpropanamide
• 英文别名: N-Propionyl-thioacetamid；N-Propionylthioacetamid；N-Ethanethioylpropanamide；N-ethanethioylpropanamide
• CAS: 2905-39-7
• 化学式: C₅H₉NOS
• 分子量: 131.199
• InChiKey: PIJFZHMJSTXAOA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  61.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-thioacetylpropanamide 生成 甲基乙烯酮 、 硫代乙酰胺
  参考文献：
  名称：

  The nature of the transition state in amides pyrolysis. The rates of pyrolysis ofN-benzoyl andN-acetylpropanamide,N-benzoyl andN-acetyl-2-methylpropanamide, andN-thioacetylpropanamide

  摘要：

  AbstractThe rates of gas‐phase elimination reactions of N‐benzoyl and N‐acetyl‐propanamide and N‐benzoyl and N‐acetyl‐2‐methylpropanamide are measured and discussed. They undergo unimolecular first‐order elimination reactions. The reactivities of N‐benzoylamides have been compared with each other and with those of N‐acetylamides. The kinetic data together with the product analysis reveals that, the statistical factor of the availability of β‐hydrogen atoms for elimination as well as steric factor are obscured by polar factor in gas‐phase elimination reactions of N‐benzoylamides while the statistical factor rather than electronic effect operates in each of N‐acetylamides. © 1995 John Wiley & Sons, Inc.

  DOI：

  10.1002/kin.550270102
• 作为产物：
  描述：

  丙酰氯 、 硫代乙酰胺 在 吡啶 作用下， 以70%的产率得到N-thioacetylpropanamide
  参考文献：
  名称：

  The nature of the transition state in amides pyrolysis. The rates of pyrolysis ofN-benzoyl andN-acetylpropanamide,N-benzoyl andN-acetyl-2-methylpropanamide, andN-thioacetylpropanamide

  摘要：

  AbstractThe rates of gas‐phase elimination reactions of N‐benzoyl and N‐acetyl‐propanamide and N‐benzoyl and N‐acetyl‐2‐methylpropanamide are measured and discussed. They undergo unimolecular first‐order elimination reactions. The reactivities of N‐benzoylamides have been compared with each other and with those of N‐acetylamides. The kinetic data together with the product analysis reveals that, the statistical factor of the availability of β‐hydrogen atoms for elimination as well as steric factor are obscured by polar factor in gas‐phase elimination reactions of N‐benzoylamides while the statistical factor rather than electronic effect operates in each of N‐acetylamides. © 1995 John Wiley & Sons, Inc.

  DOI：

  10.1002/kin.550270102

文献信息

• Goerdeler,J.; Stadelbauer,K., Chemische Berichte, 1965, vol. 98, p. 1556 - 1561
  作者：Goerdeler,J.、Stadelbauer,K.

  DOI：——

  日期：——
• Walter,W.; Krohn,J., Justus Liebigs Annalen der Chemie, 1973, p. 476 - 494
  作者：Walter,W.、Krohn,J.

  DOI：——

  日期：——