(2S)-N-methyl-N-[2-(pyridine-2-carbonyl)phenyl]pyrrolidine-2-carboxamide | 1224437-24-4

• 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: (2S)-N-methyl-N-[2-(pyridine-2-carbonyl)phenyl]pyrrolidine-2-carboxamide
• CAS: 1224437-24-4
• 化学式: C₁₈H₁₉N₃O₂
• 分子量: 309.368
• InChiKey: GJLHXDSWNOMAKI-HNNXBMFYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  62.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2S)-N-methyl-N-[2-(pyridine-2-carbonyl)phenyl]pyrrolidine-2-carboxamide 在 sodium tetrahydroborate 、 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 0.67h， 生成 、
  参考文献：
  名称：

  Synthesis of 5-arylpyrrolo[2,1-c][1,4]benzodiazepines under mild cyclodehydration conditions

  摘要：

  The efficiency of a cyclodehydration reaction leading to benzodiazepinones is markedly improved by N-methylation of the amide link connecting the nucleophile and the electrophile, which is attributed to its favouring both the more reactive E-rotamer and the exit of the leaving group (C) 2010 Elsevier Ltd All rights reserved

  DOI：

  10.1016/j.tet.2010.01.109
• 作为产物：
  描述：

  在 三氟乙酸 、 sodium hydroxide 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 0.5h， 生成 (2S)-N-methyl-N-[2-(pyridine-2-carbonyl)phenyl]pyrrolidine-2-carboxamide
  参考文献：
  名称：

  Synthesis of 5-arylpyrrolo[2,1-c][1,4]benzodiazepines under mild cyclodehydration conditions

  摘要：

  The efficiency of a cyclodehydration reaction leading to benzodiazepinones is markedly improved by N-methylation of the amide link connecting the nucleophile and the electrophile, which is attributed to its favouring both the more reactive E-rotamer and the exit of the leaving group (C) 2010 Elsevier Ltd All rights reserved

  DOI：

  10.1016/j.tet.2010.01.109

文献信息

• Synthesis of 5-arylpyrrolo[2,1-c][1,4]benzodiazepines under mild cyclodehydration conditions
  作者：Loreto Legerén、Domingo Domínguez

  DOI：10.1016/j.tet.2010.01.109

  日期：2010.4

  The efficiency of a cyclodehydration reaction leading to benzodiazepinones is markedly improved by N-methylation of the amide link connecting the nucleophile and the electrophile, which is attributed to its favouring both the more reactive E-rotamer and the exit of the leaving group (C) 2010 Elsevier Ltd All rights reserved