(E)-4-((4-(diethylamino)benzylidene)amino)-1-methyl-4H-1,2,4-triazol-1-ium iodide | 1427059-39-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (E)-4-((4-(diethylamino)benzylidene)amino)-1-methyl-4H-1,2,4-triazol-1-ium iodide
• 英文别名: N,N-diethyl-4-[(E)-(1-methyl-1,2,4-triazol-4-ium-4-yl)iminomethyl]aniline;iodide
• CAS: 1427059-39-9
• 化学式: C₁₄H₂₀N₅*I
• 分子量: 385.251
• InChiKey: VHVPHJQGGDBIQO-GYVLLFFHSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.56
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  37.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-nitrophenyl azide 、 (E)-4-((4-(diethylamino)benzylidene)amino)-1-methyl-4H-1,2,4-triazol-1-ium iodide 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以68%的产率得到N,N-diethyl-4-((E)-(((E)-1-methyl-5-((E)-(4-nitrophenyl)triaz-2-en-1-ylidene)-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino)-methyl)aniline
  参考文献：
  名称：

  Push-Pull Triazenes Derived from 1-(Benzylideneamino)- and 1-(Sulfonimido)-azolylidenes

  摘要：

  In-situ-generated neutral 1-(benzylideneamino)- and novel anionic 1-(sulfonimido)-azolylidenes react with organic azides to afford diverse classes of push-pull triazenes and triazene salts. The scope of the heterocyclic core and substituents at the N1 and N3 positions of NHC precursors together with the thermal properties of resulting compounds were examined.

  DOI：

  10.1021/jo302697q
• 作为产物：
  描述：

  N,N-二乙基-4-氨基苯甲醛 在 硫酸 作用下， 以 乙醇 为溶剂， 反应 10.0h， 生成 (E)-4-((4-(diethylamino)benzylidene)amino)-1-methyl-4H-1,2,4-triazol-1-ium iodide
  参考文献：
  名称：

  Push-Pull Triazenes Derived from 1-(Benzylideneamino)- and 1-(Sulfonimido)-azolylidenes

  摘要：

  In-situ-generated neutral 1-(benzylideneamino)- and novel anionic 1-(sulfonimido)-azolylidenes react with organic azides to afford diverse classes of push-pull triazenes and triazene salts. The scope of the heterocyclic core and substituents at the N1 and N3 positions of NHC precursors together with the thermal properties of resulting compounds were examined.

  DOI：

  10.1021/jo302697q

文献信息

• Push-Pull Triazenes Derived from 1-(Benzylideneamino)- and 1-(Sulfonimido)-azolylidenes
  作者：Davit Jishkariani、C. Dennis Hall、Aydin Demircan、Blake J. Tomlin、Peter J. Steel、Alan R. Katritzky

  DOI：10.1021/jo302697q

  日期：2013.4.5

  In-situ-generated neutral 1-(benzylideneamino)- and novel anionic 1-(sulfonimido)-azolylidenes react with organic azides to afford diverse classes of push-pull triazenes and triazene salts. The scope of the heterocyclic core and substituents at the N1 and N3 positions of NHC precursors together with the thermal properties of resulting compounds were examined.