5-(1-(4-bromophenyl)-5-cyano-4,5-dihydro-1H-pyrazol-3-yl)-3-methyl-1-phenyl-1H-pyrazole-4-carbonitrile | 1158959-13-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(1-(4-bromophenyl)-5-cyano-4,5-dihydro-1H-pyrazol-3-yl)-3-methyl-1-phenyl-1H-pyrazole-4-carbonitrile
• 英文别名: 5-[2-(4-Bromophenyl)-3-cyano-3,4-dihydropyrazol-5-yl]-3-methyl-1-phenylpyrazole-4-carbonitrile；5-[2-(4-bromophenyl)-3-cyano-3,4-dihydropyrazol-5-yl]-3-methyl-1-phenylpyrazole-4-carbonitrile
• CAS: 1158959-13-7
• 化学式: C₂₁H₁₅BrN₆
• 分子量: 431.294
• InChiKey: VHLSMRFAVHRAOD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  81
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (Z)-1-(bromo(4-cyano-3-methyl-1-phenyl-1H-pyrazol-5-yl)methylene)-2-(4-bromophenyl)hydrazine 、 丙烯腈 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 16.0h， 以70%的产率得到5-(1-(4-bromophenyl)-5-cyano-4,5-dihydro-1H-pyrazol-3-yl)-3-methyl-1-phenyl-1H-pyrazole-4-carbonitrile
  参考文献：
  名称：

  Preparation of 4-Cyano-3-methyl-1-phenyl-1H-pyrazole-5-(4-bromophenyl)nitrile Imine: Regio- and Stereoselective Synthesis of a New Class of Substituted 3-Pyrazolines and Pyrazoles

  摘要：

  A regio and stereoselective preparation of a new class of substituted 3-pyrazolyl-2-pyrazolines and pyrazoles in good to excellent yields has been developed by reacting 4-cyanopyrazole-5-nitrile imine with dipolarophiles.

  DOI：

  10.3987/com-08-11531

文献信息

• Preparation of 4-Cyano-3-methyl-1-phenyl-1H-pyrazole-5-(4-bromophenyl)nitrile Imine: Regio- and Stereoselective Synthesis of a New Class of Substituted 3-Pyrazolines and Pyrazoles
  作者：Kumar K. Mahalanabis、Attreyee Mukherjee

  DOI：10.3987/com-08-11531

  日期：——

  A regio and stereoselective preparation of a new class of substituted 3-pyrazolyl-2-pyrazolines and pyrazoles in good to excellent yields has been developed by reacting 4-cyanopyrazole-5-nitrile imine with dipolarophiles.