3-(2-(3-p-tolyl-1H-pyrazol-5-yl)hydrazono)-2-phenylprop-1-ene-1,1,3-tricarbonitrile

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(2-(3-p-tolyl-1H-pyrazol-5-yl)hydrazono)-2-phenylprop-1-ene-1,1,3-tricarbonitrile
• 英文别名: (1Z)-3,3-dicyano-N-[[5-(4-methylphenyl)-1H-pyrazol-3-yl]amino]-2-phenylprop-2-enimidoyl cyanide
• 化学式: C₂₂H₁₅N₇
• 分子量: 377.408
• InChiKey: MWFVXHDLWBFRLE-NHFJDJAPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  124
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-(2-(3-p-tolyl-1H-pyrazol-5-yl)hydrazono)-2-phenylprop-1-ene-1,1,3-tricarbonitrile 以 吡啶 为溶剂， 反应 12.0h， 以82%的产率得到8-amino-6-phenyl-2-(p-tolyl)-pyrazolo[5,1-c]pyrido[2,3-e][1,2,4]triazine-7-carbonitrile
  参考文献：
  名称：

  Fused polyaza‐heterocycles and 1,3,4‐thiadiazolesviaa tricyano synthon

  摘要：

  Abstractmagnified imageTreatment of 2‐cyano‐3‐phenyl‐2‐pentenedinitrile with some heterocyclic diazonium salts afforded the corresponding heterocyclic hydrazones. Some of the latter hydrazones were converted into fused polyaza‐heterocycles upon boiling in pyridine. Reaction of 2‐cyano‐3‐phenyl‐2‐pentenedinitrile with phenylisothiocyanate gave a tricyano‐thiole derivative which on treatment with hydrazonoyl chlorides and 1‐(benzothiazol‐2‐yl)‐2‐bromoethanone furnished 1,3,4‐thiadiazole and thiazole derivatives, respectively.

  DOI：

  10.1002/jhet.5570450113
• 作为产物：
  描述：

  、 α-polyfunctional arylmethylenemalonitrile derivative 以 吡啶 为溶剂， 反应 4.0h， 以86%的产率得到3-(2-(3-p-tolyl-1H-pyrazol-5-yl)hydrazono)-2-phenylprop-1-ene-1,1,3-tricarbonitrile
  参考文献：
  名称：

  Fused polyaza‐heterocycles and 1,3,4‐thiadiazolesviaa tricyano synthon

  摘要：

  Abstractmagnified imageTreatment of 2‐cyano‐3‐phenyl‐2‐pentenedinitrile with some heterocyclic diazonium salts afforded the corresponding heterocyclic hydrazones. Some of the latter hydrazones were converted into fused polyaza‐heterocycles upon boiling in pyridine. Reaction of 2‐cyano‐3‐phenyl‐2‐pentenedinitrile with phenylisothiocyanate gave a tricyano‐thiole derivative which on treatment with hydrazonoyl chlorides and 1‐(benzothiazol‐2‐yl)‐2‐bromoethanone furnished 1,3,4‐thiadiazole and thiazole derivatives, respectively.

  DOI：

  10.1002/jhet.5570450113