methyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxo-4-phenylbutanoate | 1375648-92-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: methyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxo-4-phenylbutanoate
• 英文别名: Methyl 4-(3,5-dimethylpyrazol-1-yl)-2-oxo-4-phenylbutanoate；methyl 4-(3,5-dimethylpyrazol-1-yl)-2-oxo-4-phenylbutanoate
• CAS: 1375648-92-2
• 化学式: C₁₆H₁₈N₂O₃
• 分子量: 286.331
• InChiKey: CGKXDNSEQZYGGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  61.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3,5-二甲基吡唑 、 methyl 4-phenyl-2-oxo-3-butenoate 以 二氯甲烷 为溶剂， 反应 24.0h， 以84%的产率得到methyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxo-4-phenylbutanoate
  参考文献：
  名称：

  Catalyst-free aza-Michael addition of azole to β,γ-unsaturated-α-keto ester: an efficient access to C–N bond formation

  摘要：

  An efficient aza-Michael addition of azoles to beta,gamma-unsaturated-alpha-keto esters under room temperature conditions has been developed. In this conjugate addition, no additional catalyst is employed. Azole reacts with beta,gamma-unsaturated-alpha-keto ester smoothly to afford new C-N bond adducts in good to excellent yields (up to 96%). (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.03.132

文献信息

• Catalyst-free aza-Michael addition of azole to β,γ-unsaturated-α-keto ester: an efficient access to C–N bond formation
  作者：Jun Wang、Peng-Fei Li、Sau Hing Chan、Albert S.C. Chan、Fuk Yee Kwong

  DOI：10.1016/j.tetlet.2012.03.132

  日期：2012.6

  An efficient aza-Michael addition of azoles to beta,gamma-unsaturated-alpha-keto esters under room temperature conditions has been developed. In this conjugate addition, no additional catalyst is employed. Azole reacts with beta,gamma-unsaturated-alpha-keto ester smoothly to afford new C-N bond adducts in good to excellent yields (up to 96%). (C) 2012 Elsevier Ltd. All rights reserved.