N-[2-acetyl-3-oxo-1-(pyridin-3-yl)butyl]-2,2-dimethylpropionamide | 887344-47-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-[2-acetyl-3-oxo-1-(pyridin-3-yl)butyl]-2,2-dimethylpropionamide
• 英文别名: N-(2-acetyl-3-oxo-1-pyridin-3-ylbutyl)-2,2-dimethylpropanamide
• CAS: 887344-47-0
• 化学式: C₁₆H₂₂N₂O₃
• 分子量: 290.362
• InChiKey: IVDWWSWAWVVSIC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  76.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-[2-acetyl-3-oxo-1-(pyridin-3-yl)butyl]-2,2-dimethylpropionamide 在 肼 作用下， 以 乙醇 为溶剂， 反应 1.0h， 以63%的产率得到N-[(3,5-dimethyl-1H-pyrazol-4-yl)(pyridin-3-yl)methyl]-2,2-dimethylpropionamide
  参考文献：
  名称：

  N-(α-Amidoalkyl)benzotriazole-mediated synthesis of β′-amido β-diketones: a general synthetic protocol for N-[β-(3,5-di and 1,3,5-trisubstituted pyrazol-4-yl)alkyl] amides

  摘要：

  Various beta '-amido-beta-diketones were first synthesized with N-(alpha-amidoalkyl)benzotriazole-mediated amidoalkylation of 1,3-diketones in moderate yields. These intermediates undergo rapid condensation with hydrazines to give the corresponding N-[beta-(3,5-di and 1,3,5-trisubstituted pyrazol-4-yl)alkyl]amides. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.10.047
• 作为产物：
  描述：

  N-[benzotriazol-1-yl(pyridin-3-yl)methyl]-2,2-dimethylpropionamide 、 乙酰丙酮 在 potassium tert-butylate 作用下， 以 二甲基亚砜 为溶剂， 反应 8.67h， 以90%的产率得到N-[2-acetyl-3-oxo-1-(pyridin-3-yl)butyl]-2,2-dimethylpropionamide
  参考文献：
  名称：

  N-(α-Amidoalkyl)benzotriazole-mediated synthesis of β′-amido β-diketones: a general synthetic protocol for N-[β-(3,5-di and 1,3,5-trisubstituted pyrazol-4-yl)alkyl] amides

  摘要：

  Various beta '-amido-beta-diketones were first synthesized with N-(alpha-amidoalkyl)benzotriazole-mediated amidoalkylation of 1,3-diketones in moderate yields. These intermediates undergo rapid condensation with hydrazines to give the corresponding N-[beta-(3,5-di and 1,3,5-trisubstituted pyrazol-4-yl)alkyl]amides. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.10.047

文献信息

• N-(α-Amidoalkyl)benzotriazole-mediated synthesis of β′-amido β-diketones: a general synthetic protocol for N-[β-(3,5-di and 1,3,5-trisubstituted pyrazol-4-yl)alkyl] amides
  作者：İlhami Çelik、Nevin Kanışkan、Şule Kökten

  DOI：10.1016/j.tet.2008.10.047

  日期：2009.1

  Various beta '-amido-beta-diketones were first synthesized with N-(alpha-amidoalkyl)benzotriazole-mediated amidoalkylation of 1,3-diketones in moderate yields. These intermediates undergo rapid condensation with hydrazines to give the corresponding N-[beta-(3,5-di and 1,3,5-trisubstituted pyrazol-4-yl)alkyl]amides. (C) 2008 Elsevier Ltd. All rights reserved.