N-allyl-2-isocyano-N-methyl-acetamide | 525561-07-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-allyl-2-isocyano-N-methyl-acetamide
• 英文别名: 2-isocyano-N-methyl-N-prop-2-enylacetamide
• CAS: 525561-07-3
• 化学式: C₇H₁₀N₂O
• mdl: MFCD11223707
• 分子量: 138.169
• InChiKey: VFLSANLTHGXOEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.428
• 拓扑面积：
  24.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-allyl-2-isocyano-N-methyl-acetamide 在 titanium(IV) isopropylate 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 85.0h， 生成
  参考文献：
  名称：

  Short and Diverse Route Toward Complex Natural Product-Like Macrocycles

  摘要：

  [GRAPHICS]A general strategy toward macrocyclic compounds using multicomponent reaction (MCR) chemistry, e.g., Passerini and Ugi variants, and ring-closing metathesis (RCM) is introduced. The corresponding bifunctional isocyanides carboxylic acids bearing a terminal olefin are easy to prepare from the corresponding commercially available starting materials. Advantageously, this strategy allows fast access to a diverse conformational space of natural product-like macrocycles and could thus be of interest in the discovery of novel bioactive agents.

  DOI：

  10.1021/ol034077e
• 作为产物：
  描述：

  N-甲基烯丙基胺 、 异腈基乙酸甲酯 以83%的产率得到N-allyl-2-isocyano-N-methyl-acetamide
  参考文献：
  名称：

  Short and Diverse Route Toward Complex Natural Product-Like Macrocycles

  摘要：

  [GRAPHICS]A general strategy toward macrocyclic compounds using multicomponent reaction (MCR) chemistry, e.g., Passerini and Ugi variants, and ring-closing metathesis (RCM) is introduced. The corresponding bifunctional isocyanides carboxylic acids bearing a terminal olefin are easy to prepare from the corresponding commercially available starting materials. Advantageously, this strategy allows fast access to a diverse conformational space of natural product-like macrocycles and could thus be of interest in the discovery of novel bioactive agents.

  DOI：

  10.1021/ol034077e