2-[(2-Chlorophenyl)methylidene]-3-oxobutanamide | 27351-51-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 2-[(2-Chlorophenyl)methylidene]-3-oxobutanamide
• CAS: 27351-51-5
• 化学式: C₁₁H₁₀ClNO₂
• 分子量: 223.659
• InChiKey: JKKNMNXSCLYGFG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  60.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-amino-4-(2-methoxyphenyl)imidazole 、 2-[(2-Chlorophenyl)methylidene]-3-oxobutanamide 在 N,N-二异丙基乙胺 作用下， 以 异丙醇 为溶剂， 生成
  参考文献：
  名称：

  Synthesis, SAR, and atropisomerism of imidazolopyrimidine DPP4 inhibitors

  摘要：

  The synthesis and SAR of aminomethyl-substituted imidazolopyrimidine DPP4 inhibitors bearing varied pendant aryl groups is described. Compound 1, which exists as a separable mixture of non-interconvertible atropisomers was used as the starting point for investigation. The effects of substituent pattern and type as well as stereochemical effects on inhibitor potency are discussed. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.08.090
• 作为产物：
  描述：

  乙酰乙酰胺 、 2-氯苯甲醛 在 哌啶 、 溶剂黄146 作用下， 以 异丙醇 为溶剂， 生成 2-[(2-Chlorophenyl)methylidene]-3-oxobutanamide
  参考文献：
  名称：

  Synthesis, SAR, and atropisomerism of imidazolopyrimidine DPP4 inhibitors

  摘要：

  The synthesis and SAR of aminomethyl-substituted imidazolopyrimidine DPP4 inhibitors bearing varied pendant aryl groups is described. Compound 1, which exists as a separable mixture of non-interconvertible atropisomers was used as the starting point for investigation. The effects of substituent pattern and type as well as stereochemical effects on inhibitor potency are discussed. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.08.090

文献信息

• Synthesis, SAR, and atropisomerism of imidazolopyrimidine DPP4 inhibitors
  作者：Stephen P. O’Connor、Ying Wang、Ligaya M. Simpkins、Robert P. Brigance、Wei Meng、Aiying Wang、Mark S. Kirby、Carolyn A. Weigelt、Lawrence G. Hamann

  DOI：10.1016/j.bmcl.2010.08.090

  日期：2010.11

  The synthesis and SAR of aminomethyl-substituted imidazolopyrimidine DPP4 inhibitors bearing varied pendant aryl groups is described. Compound 1, which exists as a separable mixture of non-interconvertible atropisomers was used as the starting point for investigation. The effects of substituent pattern and type as well as stereochemical effects on inhibitor potency are discussed. (C) 2010 Elsevier Ltd. All rights reserved.