2-(2-(3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-5-yl)propan-2-yl)-N-methylaniline | 1112193-93-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(2-(3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-5-yl)propan-2-yl)-N-methylaniline
• 英文别名: 2-[2-[5-(4-chlorophenyl)-2-phenylpyrazol-3-yl]propan-2-yl]-N-methylaniline
• CAS: 1112193-93-7
• 化学式: C₂₅H₂₄ClN₃
• 分子量: 401.939
• InChiKey: IBXZLNNDSRQCPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  29.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1,3,3-三甲基-2-亚甲基吲哚啉 、 苯甲酰氯 4-氯苯基腙 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以75%的产率得到2-(2-(3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-5-yl)propan-2-yl)-N-methylaniline
  参考文献：
  名称：

  A novel synthesis of 1,3,5-trisubstituted pyrazoles through a spiro-pyrazoline intermediate via a tandem 1,3-dipolar cycloaddition/elimination

  摘要：

  The syntheses of an important class of hitherto unreported 1,3,5-pyrazoles, inspired by all unanticipated eliminatory ring opening are described, The reported pyrazole compounds were constructed through the Huisgen cyclization of 2-methylene-1,3,3-trimethylindoline and an in situ generated nitrile imine. The newly formed spiro-pyrazoline intermediate presumably then undergoes a ring opening/elimination process to afford a pyrazole, as evidenced by single X-ray crystal data. The Current report constitutes the first formal observation of this kind of ring opening involving a spiro-pyrazoline intermediate. Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2008.10.145