[Butyl(nitroso)amino]methyl 2,2-dichloroacetate | 188860-09-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [Butyl(nitroso)amino]methyl 2,2-dichloroacetate
• CAS: 188860-09-5
• 化学式: C₇H₁₂Cl₂N₂O₃
• 分子量: 243.09
• InChiKey: ZODACESVEYYPHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  59
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-methylidenebutylamine 在 nitrosonium tetrafluoroborate 作用下， 以 二氯甲烷 、 三乙胺 为溶剂， 反应 0.17h， 生成 [Butyl(nitroso)amino]methyl 2,2-dichloroacetate
  参考文献：
  名称：

  Evidence for the Formation of α-Hydroxydialkylnitrosamines in the pH-Independent Solvolysis of α-(Acyloxy)dialkylnitrosamines

  摘要：

  A kinetic study of the decay of alpha-(acyloxy)dialkylnitrosamines in aqueous solutions, at 25 degrees C, ionic strength 1 M (NaClO4), and 4% acetonitrile by volume, is reported. Rate constants for disappearance of the N-NO chromophore or appearance of benzaldehyde product increase with the introduction of electron-withdrawing groups into the acyloxy moiety. For some compounds, in some regions of pH, the kinetics are non-first-order, For these compounds, in other regions of pH, the rate constants are coincident with those previously reported for the decay of the corresponding alpha-hydroxydialkylnitrosamines. These data provide direct evidence that alpha-hydroxydialkylnitrosamines are intermediates in the pH-independent decomposition of the alpha-(acyloxy)dialkylnitrosamines studied.

  DOI：

  10.1021/jo962003t

文献信息

• Evidence for the Formation of α-Hydroxydialkylnitrosamines in the pH-Independent Solvolysis of α-(Acyloxy)dialkylnitrosamines
  作者：Latifa Chahoua、Milan Mesic´,、Cynthia L. Revis、Alain Vigroux、James C. Fishbein

  DOI：10.1021/jo962003t

  日期：1997.4.1

  A kinetic study of the decay of alpha-(acyloxy)dialkylnitrosamines in aqueous solutions, at 25 degrees C, ionic strength 1 M (NaClO4), and 4% acetonitrile by volume, is reported. Rate constants for disappearance of the N-NO chromophore or appearance of benzaldehyde product increase with the introduction of electron-withdrawing groups into the acyloxy moiety. For some compounds, in some regions of pH, the kinetics are non-first-order, For these compounds, in other regions of pH, the rate constants are coincident with those previously reported for the decay of the corresponding alpha-hydroxydialkylnitrosamines. These data provide direct evidence that alpha-hydroxydialkylnitrosamines are intermediates in the pH-independent decomposition of the alpha-(acyloxy)dialkylnitrosamines studied.