4-Phenyl-3-(3'-phenylpyrazolo-5'-yl)-2-ylidinomalononitrilothiazole | 174539-12-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-Phenyl-3-(3'-phenylpyrazolo-5'-yl)-2-ylidinomalononitrilothiazole
• 英文别名: 2-[4-phenyl-3-(5-phenyl-1H-pyrazol-3-yl)-1,3-thiazol-2-ylidene]propanedinitrile
• CAS: 174539-12-9
• 化学式: C₂₁H₁₃N₅S
• 分子量: 367.434
• InChiKey: KXRZMWZBJOMKCP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.89
• 重原子数：
  27.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  79.5
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  4-Phenyl-3-(3'-phenylpyrazolo-5'-yl)-2-ylidinomalononitrilothiazole 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 12.0h， 以79%的产率得到2-(2',3'-Diaminopyrazol-4'-ylideno)-4-phenyl-3-(3''-phenylpyrazolo-5''-yl)-thiazole
  参考文献：
  名称：

  Reaction of 3-phenyl-5-aminopyrazole with carbon disulfide: A novel synthesis of 3-(3′-phenylpyrazol-5′-yl)-4-phenylpyrazol-2-thione as well as of pyrazolo[3,4-d]thiazole and pyrano[2,3-d]thiazole derivatives

  摘要：

  3-Phenyl-5-aminopyrazole (1) reacts with carbon disulfide, followed by in situ reaction with alpha-halokerones 3a-c, to afford 5, 7a, and 7b, respectively. Compounds 5 and 7 were further utilized for the formation of heterocycles and their fused derivatives.

  DOI：

  10.1007/bf00807069
• 作为产物：
  描述：

  3-氨基-5-苯基吡唑 在 哌啶 、 氢氧化钾 作用下， 以 1,4-二氧六环 为溶剂， 反应 8.0h， 生成 4-Phenyl-3-(3'-phenylpyrazolo-5'-yl)-2-ylidinomalononitrilothiazole
  参考文献：
  名称：

  Reaction of 3-phenyl-5-aminopyrazole with carbon disulfide: A novel synthesis of 3-(3′-phenylpyrazol-5′-yl)-4-phenylpyrazol-2-thione as well as of pyrazolo[3,4-d]thiazole and pyrano[2,3-d]thiazole derivatives

  摘要：

  3-Phenyl-5-aminopyrazole (1) reacts with carbon disulfide, followed by in situ reaction with alpha-halokerones 3a-c, to afford 5, 7a, and 7b, respectively. Compounds 5 and 7 were further utilized for the formation of heterocycles and their fused derivatives.

  DOI：

  10.1007/bf00807069