N-[(1H-1,2,3-benzotriazol-1-yl)(4-chlorophenyl)methylidene]-N-(4-methylphenyl)amine | 876893-26-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 英文名称: N-[(1H-1,2,3-benzotriazol-1-yl)(4-chlorophenyl)methylidene]-N-(4-methylphenyl)amine
• 英文别名: 1-(benzotriazol-1-yl)-1-(4-chlorophenyl)-N-(4-methylphenyl)methanimine
• CAS: 876893-26-4
• 化学式: C₂₀H₁₅ClN₄
• 分子量: 346.819
• InChiKey: KWVGHJNLMRMUED-UHFFFAOYSA-N

物化性质

• 熔点：
  118-120 °C(Solv: chloroform (67-66-3); hexane (110-54-3))
• 沸点：
  524.2±60.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  43.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-[(1H-1,2,3-benzotriazol-1-yl)(4-chlorophenyl)methylidene]-N-(4-methylphenyl)amine 、 N-甲基苯胺 在 三氯化铝 作用下， 以 氯仿 为溶剂， 反应 0.17h， 以90%的产率得到4-chloro-N-methyl-N'-(4-methylphenyl)-N-phenylbenzenecarboximidamide
  参考文献：
  名称：

  Efficient Microwave Access to Polysubstituted Amidines from Imidoylbenzotriazoles

  摘要：

  Microwave reactions of primary and secondary amines with imidoylbenzotriazoles 6a-w gave diversely substituted amidines 7a-Aa in 76-94% yields. Convenient preparations of a variety of amides 5a-Ab (87-96%) and imidoylbenzotriazoles 6a-w (56-95%) have also been developed using microwave irradiation under mild conditions and short reaction times. These results demonstrate further the advantages of microwave synthesis and introduce a new application of imidoylbenzotriazoles in the preparation of polysubstituted amidines.

  DOI：

  10.1021/jo052443x
• 作为产物：
  描述：

  1H-苯并三唑-1-基(4-氯苯基)甲酮 在 氯化亚砜 作用下， 以 氯仿 为溶剂， 反应 0.34h， 生成 N-[(1H-1,2,3-benzotriazol-1-yl)(4-chlorophenyl)methylidene]-N-(4-methylphenyl)amine
  参考文献：
  名称：

  Efficient Microwave Access to Polysubstituted Amidines from Imidoylbenzotriazoles

  摘要：

  Microwave reactions of primary and secondary amines with imidoylbenzotriazoles 6a-w gave diversely substituted amidines 7a-Aa in 76-94% yields. Convenient preparations of a variety of amides 5a-Ab (87-96%) and imidoylbenzotriazoles 6a-w (56-95%) have also been developed using microwave irradiation under mild conditions and short reaction times. These results demonstrate further the advantages of microwave synthesis and introduce a new application of imidoylbenzotriazoles in the preparation of polysubstituted amidines.

  DOI：

  10.1021/jo052443x

文献信息

• Efficient Microwave Access to Polysubstituted Amidines from Imidoylbenzotriazoles
  作者：Alan R. Katritzky、Chunming Cai、Sandeep K. Singh

  DOI：10.1021/jo052443x

  日期：2006.4.1

  Microwave reactions of primary and secondary amines with imidoylbenzotriazoles 6a-w gave diversely substituted amidines 7a-Aa in 76-94% yields. Convenient preparations of a variety of amides 5a-Ab (87-96%) and imidoylbenzotriazoles 6a-w (56-95%) have also been developed using microwave irradiation under mild conditions and short reaction times. These results demonstrate further the advantages of microwave synthesis and introduce a new application of imidoylbenzotriazoles in the preparation of polysubstituted amidines.