N-[benzotriazol-1-yl(4-fluorophenyl)methyl]propionamide | 1104872-38-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 英文名称: N-[benzotriazol-1-yl(4-fluorophenyl)methyl]propionamide
• 英文别名: N-[benzotriazol-1-yl-(4-fluorophenyl)methyl]propanamide
• CAS: 1104872-38-9
• 化学式: C₁₆H₁₅FN₄O
• 分子量: 298.32
• InChiKey: ZJJOFWUPIREUQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  59.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-[benzotriazol-1-yl(4-fluorophenyl)methyl]propionamide 、 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79%的产率得到N-[2-acetyl-3-oxo-1-(4-fluorophenyl)butyl]propionamide
  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：

  T406石油添加剂 、 对氟苯甲醛 、 丙酰胺 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 以63%的产率得到N-[benzotriazol-1-yl(4-fluorophenyl)methyl]propionamide
  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.