α-benzalcyanoacetyl-4-phenyl-3-thiosemicarbazide | 1023741-80-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: α-benzalcyanoacetyl-4-phenyl-3-thiosemicarbazide
• 英文别名: 1-[(2-cyano-3-phenylprop-2-enoyl)amino]-3-phenylthiourea
• CAS: 1023741-80-1
• 化学式: C₁₇H₁₄N₄OS
• 分子量: 322.39
• InChiKey: CFIZGZBIVIBYAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.61
• 重原子数：
  23.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  76.95
• 氢给体数：
  3.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  α-benzalcyanoacetyl-4-phenyl-3-thiosemicarbazide 以 乙醇 为溶剂， 反应 6.0h， 生成 3-amino-N-[[4-(4-methylphenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]-1,5-diphenylpyrazole-4-carboxamide
  参考文献：
  名称：

  Uses of 1-Cyanoacetyl-4-phenyl-3-thiosemicarbazide in Heterocyclic Synthesis: Synthesis of Thiazole, Coumarin, and Pyridine Derivatives with Antimicrobial and Antifungal Activities

  摘要：

  The reaction of cyanoacetyl hydrazine with phenylisothiocyanate gave the thiosemicarbazide 3. The latter underwent a series of heterocyclization reactions when it reacts with either aromatic aldehydes or alpha-haloketones, follwed by further reaction of the products with cyanomethylene reagents or hydrazines to give either thiazole, coumarin, or pyridine derivatives. The newly synthesized product showed antimicrobial and antifungal activities.

  DOI：

  10.1080/10426500701289914
• 作为产物：
  描述：

  1-cyanoacetyl-4-phenylthiosemicarbazide 、 苯甲醛 在 哌啶 作用下， 以 1,4-二氧六环 为溶剂， 反应 3.0h， 以56%的产率得到α-benzalcyanoacetyl-4-phenyl-3-thiosemicarbazide
  参考文献：
  名称：

  Uses of 1-Cyanoacetyl-4-phenyl-3-thiosemicarbazide in Heterocyclic Synthesis: Synthesis of Thiazole, Coumarin, and Pyridine Derivatives with Antimicrobial and Antifungal Activities

  摘要：

  The reaction of cyanoacetyl hydrazine with phenylisothiocyanate gave the thiosemicarbazide 3. The latter underwent a series of heterocyclization reactions when it reacts with either aromatic aldehydes or alpha-haloketones, follwed by further reaction of the products with cyanomethylene reagents or hydrazines to give either thiazole, coumarin, or pyridine derivatives. The newly synthesized product showed antimicrobial and antifungal activities.

  DOI：

  10.1080/10426500701289914