2-nitro-5-oxo-2-(3-oxo-3-phenyl-propyl)-5-phenyl-valeronitrile | 102003-15-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-nitro-5-oxo-2-(3-oxo-3-phenyl-propyl)-5-phenyl-valeronitrile
• 英文别名: 2-Nitro-5-oxo-2-(3-oxo-3-phenyl-propyl)-5-phenyl-valeronitril
• CAS: 102003-15-6
• 化学式: C₂₀H₁₈N₂O₄
• 分子量: 350.374
• InChiKey: DZRUEJOSIGKCTK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.85
• 重原子数：
  26.0
• 可旋转键数：
  9.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  101.07
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-nitro-5-oxo-2-(3-oxo-3-phenyl-propyl)-5-phenyl-valeronitrile 在 ammonium acetate 作用下， 以 乙腈 为溶剂， 反应 12.0h， 以39.5 mg的产率得到2,7-diphenyl-1,8-naphthyridine
  参考文献：
  名称：

  Safe cyano(nitro)methylating reagent—Michael addition of cyano-aci-nitroacetate leading to δ-functionalized α-nitronitriles

  摘要：

  A practical, convenient, and safe cyano(nitro)methylation method was developed, in which cyano-aci-nitroacetate served as a synthetic equivalent of anionic nitroacetonitrile. A control of the single/double Michael additions was achieved, which enabled the synthesis of unsymmetrical double Michael adducts. Moreover, the Michael adducts can be used as precursors of pyridine and naphthyridine frameworks. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.07.013
• 作为产物：
  描述：

  、 1-苯基-2-丙烯基-1-酮 以 氯仿 为溶剂， 反应 4.0h， 生成 2-nitro-5-oxo-2-(3-oxo-3-phenyl-propyl)-5-phenyl-valeronitrile
  参考文献：
  名称：

  Safe cyano(nitro)methylating reagent—Michael addition of cyano-aci-nitroacetate leading to δ-functionalized α-nitronitriles

  摘要：

  A practical, convenient, and safe cyano(nitro)methylation method was developed, in which cyano-aci-nitroacetate served as a synthetic equivalent of anionic nitroacetonitrile. A control of the single/double Michael additions was achieved, which enabled the synthesis of unsymmetrical double Michael adducts. Moreover, the Michael adducts can be used as precursors of pyridine and naphthyridine frameworks. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.07.013

文献信息

• Ried; Koehler, Justus Liebigs Annalen der Chemie, 1955, vol. 598, p. 145,157
  作者：Ried、Koehler

  DOI：——

  日期：——