N,N'-dimethyl-N,N'-di(2-pyridyl)-1,3-benzenedicarboxamide | 1338604-75-3

• 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: N,N'-dimethyl-N,N'-di(2-pyridyl)-1,3-benzenedicarboxamide
• 英文别名: 1-N,3-N-dimethyl-1-N,3-N-dipyridin-2-ylbenzene-1,3-dicarboxamide
• CAS: 1338604-75-3
• 化学式: C₂₀H₁₈N₄O₂
• 分子量: 346.389
• InChiKey: KRJGAUGXTXPYSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  66.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N,N'-dimethyl-N,N'-di(2-pyridyl)-1,3-benzenedicarboxamide 在 高氯酸 作用下， 以 水 、 乙酸乙酯 为溶剂， 生成 N,N'-dimethyl-N,N'-di(2-pyridyl)-1,3-benzenedicarboxamide diperchlorate
  参考文献：
  名称：

  Acid-induced conformational alteration of cis-preferential aromatic amides bearing N-methyl-N-(2-pyridyl) moiety

  摘要：

  A series of cis-preferential aromatic N-methyl amides was designed and synthesized, and acid-induced conformational alteration of these compounds was investigated by means of NMR measurements in solution and X-ray crystal structure analysis. Compounds with a terminal N-methyl-N-(2-pyridyl) amide unit showed acid-induced conformational change from cis to trans, while those with a terminal N-methyl-2-pyridinecarboxamide unit showed a change of the carbonyl orientation from anti to syn with retention of cis conformation. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.08.085
• 作为产物：
  描述：

  间苯二甲酸 在 氯化亚砜 、 三乙胺 作用下， 反应 17.0h， 生成 N,N'-dimethyl-N,N'-di(2-pyridyl)-1,3-benzenedicarboxamide
  参考文献：
  名称：

  Acid-induced conformational alteration of cis-preferential aromatic amides bearing N-methyl-N-(2-pyridyl) moiety

  摘要：

  A series of cis-preferential aromatic N-methyl amides was designed and synthesized, and acid-induced conformational alteration of these compounds was investigated by means of NMR measurements in solution and X-ray crystal structure analysis. Compounds with a terminal N-methyl-N-(2-pyridyl) amide unit showed acid-induced conformational change from cis to trans, while those with a terminal N-methyl-2-pyridinecarboxamide unit showed a change of the carbonyl orientation from anti to syn with retention of cis conformation. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.08.085

文献信息

• Acid-induced conformational alteration of cis-preferential aromatic amides bearing N-methyl-N-(2-pyridyl) moiety
  作者：Iwao Okamoto、Masayuki Terashima、Hyuma Masu、Mayumi Nabeta、Kaori Ono、Nobuyoshi Morita、Kosuke Katagiri、Isao Azumaya、Osamu Tamura

  DOI：10.1016/j.tet.2011.08.085

  日期：2011.11

  A series of cis-preferential aromatic N-methyl amides was designed and synthesized, and acid-induced conformational alteration of these compounds was investigated by means of NMR measurements in solution and X-ray crystal structure analysis. Compounds with a terminal N-methyl-N-(2-pyridyl) amide unit showed acid-induced conformational change from cis to trans, while those with a terminal N-methyl-2-pyridinecarboxamide unit showed a change of the carbonyl orientation from anti to syn with retention of cis conformation. (C) 2011 Elsevier Ltd. All rights reserved.