5-amino-2,2-dimethylhex-4-en-3-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-amino-2,2-dimethylhex-4-en-3-one
• 英文别名: (Z)-5-amino-2,2-dimethylhex-4-en-3-one
• 化学式: C₈H₁₅NO
• 分子量: 141.213
• InChiKey: BLQNWJBHASDWSH-WAYWQWQTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  苯肼,盐酸盐 、 5-amino-2,2-dimethylhex-4-en-3-one 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 8.0h， 以79%的产率得到5-tert-butyl-3-methyl-1-phenylpyrazole
  参考文献：
  名称：

  Scope and Limitations in the Regioselective Synthesis of 1,3,5-Trisubstituted Pyrazoles from b-Amino Enones and Hydrazine Derivatives. 13C-Chemical Shift Prediction Rules for 1,3,5-Trisubstituted Pyrazoles

  摘要：

  DOI：

  10.3987/com-00-9102

文献信息

• Alberola, Angel; Gonzalez-Ortega, Alfonso; Sadaba, M. Luisa, Journal of the Chemical Society. Perkin transactions I, 1998, # 24, p. 4061 - 4065
  作者：Alberola, Angel、Gonzalez-Ortega, Alfonso、Sadaba, M. Luisa、Sanudo, M. Carmen

  DOI：——

  日期：——
• Regioselective Synthesis of 2(1<i>H</i>)-Pyridinones from β-Aminoenones and Malononitrile. Reaction Mechanism
  作者：Angel Alberola、Luis A. Calvo、Alfonso González Ortega、M. Carmen Sañudo Ruíz、Pedro Yustos、Santiago García Granda、Esther García-Rodriguez

  DOI：10.1021/jo991121o

  日期：1999.12.1

  The identification of some intermediates of the reactions between beta-aminoenones and malononitrile to give 2(1H)-pyridinones has allowed us to obtain valuable information concerning its mechanism. These reactions begin with a conjugated addition of the nitrile to the enone followed by elimination. The compounds thus obtained cyclize to nonisolable 2H-pyran-2-imine. This afforded 2(1H)-pyridinones by ring opening to unsaturated aminoamides followed by cyclization (Dimroth-type rearrangement).
• Scope and Limitations in the Regioselective Synthesis of 1,3,5-Trisubstituted Pyrazoles from b-Amino Enones and Hydrazine Derivatives. 13C-Chemical Shift Prediction Rules for 1,3,5-Trisubstituted Pyrazoles
  作者：Alfonso González-Ortega、M. Luisa Sádaba、Angel Alberola、Luis Calvo Bleye、M. Carmen Sañudo

  DOI：10.3987/com-00-9102

  日期：——