3-[2-(3-methylbuturylamino)acetylamino]-N-(6-methylpyridin-2-yl)benzamide | 916335-79-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-[2-(3-methylbuturylamino)acetylamino]-N-(6-methylpyridin-2-yl)benzamide
• 英文别名: 3-[[2-(3-methylbutanoylamino)acetyl]amino]-N-(6-methylpyridin-2-yl)benzamide
• CAS: 916335-79-0
• 化学式: C₂₀H₂₄N₄O₃
• 分子量: 368.436
• InChiKey: RMAHZZVMOJXFGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  100
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-amino-N-(6-methylpyridin-2-yl)benzamide 在 sodium azide 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 丙酮 为溶剂， 反应 24.0h， 生成 3-[2-(3-methylbuturylamino)acetylamino]-N-(6-methylpyridin-2-yl)benzamide
  参考文献：
  名称：

  Probing the Limits of Rate Acceleration Mediated by Hydrogen Bonds

  摘要：

  A simple receptor and substrate are used to probe the relationship between transition-state charge and the level of rate acceleration that can be created by stabilizing the transition state through hydrogen bonding. Pericyclic reactions are accelerated less than 2-fold by the receptor, whereas a conjugate addition reaction is accelerated more than 30-fold. Therefore, substrate polarization by hydrogen bonding would only appear to be effective for reactions that generate significant charge at the transition state.

  DOI：

  10.1021/ol061290c

文献信息

• Probing the Limits of Rate Acceleration Mediated by Hydrogen Bonds
  作者：Rosalyne M. Cowie、Simon M. Turega、Douglas Philp

  DOI：10.1021/ol061290c

  日期：2006.11.9

  A simple receptor and substrate are used to probe the relationship between transition-state charge and the level of rate acceleration that can be created by stabilizing the transition state through hydrogen bonding. Pericyclic reactions are accelerated less than 2-fold by the receptor, whereas a conjugate addition reaction is accelerated more than 30-fold. Therefore, substrate polarization by hydrogen bonding would only appear to be effective for reactions that generate significant charge at the transition state.