1-Pyrazol-1-ylmethyl-1H-benzotriazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 英文名称: 1-Pyrazol-1-ylmethyl-1H-benzotriazole
• 英文别名: 1-(Pyrazol-1-ylmethyl)benzotriazole
• 化学式: C₁₀H₉N₅
• 分子量: 199.215
• InChiKey: NAJFPGKDAMAQBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  48.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,4-二溴丁烷 、 1-Pyrazol-1-ylmethyl-1H-benzotriazole 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以52%的产率得到1-[1-(1H-pyrazol-1-yl)cyclopentyl]-1H-1,2,3-benzotriazole
  参考文献：
  名称：

  Synthesis of N-Cycloalkenylazoles

  摘要：

  N-(1-Cycloalkenyl)pyrroles 3a,b, -pyrazoles 6a,b, and -imidazoles 9a,b were synthesized via elimination of benzotriazole or 5-phenyltetrazole from the corresponding 1-[1-(heterocycyl)cycloalkyl]-benzotriazoles 2, 5, and 8 or 1-[1-(heterocycyl)cyclohexyl] 5-phenyltetrazole (12 and 14). Intermediates 2, 5, 8, 12 and 14 were obtained by cyclizations of dihaloalkanes with N-(benzotriazol-1-ylmethyl)heterocycles, 1-imidazol-1-ylmethyl-5-plienyltetrazole (11), or 1-pyrazol-1-ylmethyl-5-phenyltetrazole (13) in the presence of n-BuLi.

  DOI：

  10.1021/jo020336m

文献信息

• Synthesis of <i>N</i>-Cycloalkenylazoles
  作者：Alan R. Katritzky、Rexiat Maimait、Yong-Jiang Xu、Young Soo Gyoung

  DOI：10.1021/jo020336m

  日期：2002.11.1

  N-(1-Cycloalkenyl)pyrroles 3a,b, -pyrazoles 6a,b, and -imidazoles 9a,b were synthesized via elimination of benzotriazole or 5-phenyltetrazole from the corresponding 1-[1-(heterocycyl)cycloalkyl]-benzotriazoles 2, 5, and 8 or 1-[1-(heterocycyl)cyclohexyl] 5-phenyltetrazole (12 and 14). Intermediates 2, 5, 8, 12 and 14 were obtained by cyclizations of dihaloalkanes with N-(benzotriazol-1-ylmethyl)heterocycles, 1-imidazol-1-ylmethyl-5-plienyltetrazole (11), or 1-pyrazol-1-ylmethyl-5-phenyltetrazole (13) in the presence of n-BuLi.