7-(4-chlorophenyl)-3-methyl-5-(2-naphthoyl)-3,4,6,7-tetraaza-5-hepten-2-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 7-(4-chlorophenyl)-3-methyl-5-(2-naphthoyl)-3,4,6,7-tetraaza-5-hepten-2-one
• 英文别名: N-[acetyl(methyl)amino]-N'-(4-chloroanilino)-2-naphthalen-2-yl-2-oxoethanimidamide
• 化学式: C₂₁H₁₉ClN₄O₂
• 分子量: 394.86
• InChiKey: AMXLIYBBEZDLMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  73.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7-(4-chlorophenyl)-3-methyl-5-(2-naphthoyl)-3,4,6,7-tetraaza-5-hepten-2-one 在 甲烷 作用下， 以 甲苯 为溶剂， 以80%的产率得到2-acetyl-4-(4-chlorophenyl)-6-(2-naphthoyl)-1,2,3,4-tetrahydro-1,2,4,5-tetrazine
  参考文献：
  名称：

  Synthesis of Dihydro- and Tetrahydro-1,2,4,5-tetrazines from the Reaction of Nitrilimines with 1-Substituted-1-methylhydrazine

  摘要：

  The reaction of nitrilimines (2) with 1-substituted-l-methylhydrazines (3-6) led to the formation of the respective amidrazones (7) when R=CH3, Ph, and to the acyclic adducts (8,9) when R=CHO and COCH3. The acyclic adducts underwent thermal oxidative cyclization at CH3 to give the unexpected 1,2,4,5-tetrazines (10,11). Dihydro-1,2,4,5-tetrazines (12) were also seperated when R=CHO.

  DOI：

  10.1081/scc-120018683
• 作为产物：
  描述：

  N-methylacetohydrazide 、 以 四氢呋喃 为溶剂， 以75%的产率得到7-(4-chlorophenyl)-3-methyl-5-(2-naphthoyl)-3,4,6,7-tetraaza-5-hepten-2-one
  参考文献：
  名称：

  Synthesis of Dihydro- and Tetrahydro-1,2,4,5-tetrazines from the Reaction of Nitrilimines with 1-Substituted-1-methylhydrazine

  摘要：

  The reaction of nitrilimines (2) with 1-substituted-l-methylhydrazines (3-6) led to the formation of the respective amidrazones (7) when R=CH3, Ph, and to the acyclic adducts (8,9) when R=CHO and COCH3. The acyclic adducts underwent thermal oxidative cyclization at CH3 to give the unexpected 1,2,4,5-tetrazines (10,11). Dihydro-1,2,4,5-tetrazines (12) were also seperated when R=CHO.

  DOI：

  10.1081/scc-120018683

文献信息

• Synthesis of Dihydro- and Tetrahydro-1,2,4,5-tetrazines from the Reaction of Nitrilimines with 1-Substituted-1-methylhydrazine
  作者：Abdel-Rahman S. Ferwanah、Adel M. Awadallah、Emtithal A. El-Sawi、Hany M. Dalloul

  DOI：10.1081/scc-120018683

  日期：2003.1.5

  The reaction of nitrilimines (2) with 1-substituted-l-methylhydrazines (3-6) led to the formation of the respective amidrazones (7) when R=CH3, Ph, and to the acyclic adducts (8,9) when R=CHO and COCH3. The acyclic adducts underwent thermal oxidative cyclization at CH3 to give the unexpected 1,2,4,5-tetrazines (10,11). Dihydro-1,2,4,5-tetrazines (12) were also seperated when R=CHO.