N-(1H-benzimidazol-2-yl)-N'-dodecylethanimidamide | 475143-31-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: N-(1H-benzimidazol-2-yl)-N'-dodecylethanimidamide
• CAS: 475143-31-8
• 化学式: C₂₁H₃₄N₄
• 分子量: 342.528
• InChiKey: ZFDZSAZJRDVZCB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.12
• 重原子数：
  25.0
• 可旋转键数：
  12.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  53.07
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  甲基膦酸双(二甲胺) 、 N-(1H-benzimidazol-2-yl)-N'-dodecylethanimidamide 以 甲苯 为溶剂， 以85%的产率得到
  参考文献：
  名称：

  Synthese De (1,2a)Benzimidazolo-1,3,5,2-triazaphosphorine-2-oxides

  摘要：

  The reaction of hexamethylphosphotriamide or methylphosphonic bis(dimethylamide) compounds with amidines derived from N-Benzimidazoyl imidates 1 leads to (1,2a)benzimidazolo-1,3,5,2-tiazaphosphorine-2-oxides (4) over bar in good yields. If the condensation is realized at room temperature, N-phosphonic amidines (3) over bar can be isolated as intermediates. The isolated compounds (2) over bar, (3) over bar, and (4) over bar are identified by spectroscopic methods: IR, H-1, C-13, (31)p, NMR, and M.S.

  DOI：

  10.1080/10426500211735
• 作为产物：
  描述：

  十二烷基伯胺 、 ethyl (1Z)-N-(1H-benzimidazol-2-yl)ethanimidoate 以 乙醇 为溶剂， 反应 72.0h， 以90%的产率得到N-(1H-benzimidazol-2-yl)-N'-dodecylethanimidamide
  参考文献：
  名称：

  Synthese De (1,2a)Benzimidazolo-1,3,5,2-triazaphosphorine-2-oxides

  摘要：

  The reaction of hexamethylphosphotriamide or methylphosphonic bis(dimethylamide) compounds with amidines derived from N-Benzimidazoyl imidates 1 leads to (1,2a)benzimidazolo-1,3,5,2-tiazaphosphorine-2-oxides (4) over bar in good yields. If the condensation is realized at room temperature, N-phosphonic amidines (3) over bar can be isolated as intermediates. The isolated compounds (2) over bar, (3) over bar, and (4) over bar are identified by spectroscopic methods: IR, H-1, C-13, (31)p, NMR, and M.S.

  DOI：

  10.1080/10426500211735