1-(3-(1-benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one | 1542078-81-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(3-(1-benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one
• CAS: 1542078-81-8
• 化学式: C₂₂H₂₃N₅O₂
• 分子量: 389.457
• InChiKey: RRPGJGVCZBMUSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.34
• 重原子数：
  29.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  72.61
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  1-(1-benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-3-(4-methoxyphenyl)prop-2-en-1-one 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 4.0h， 生成 1-(3-(1-benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one
  参考文献：
  名称：

  Synthesis ofN-Acyl Triazolyl-Pyrazolines via Acylation Initiated by the Hydrazone Moiety with Carboxylic Acids

  摘要：

  An efficient synthesis of N-acyl/N-substituted acyl pyrazolines and their triazole hybrids have been accomplished via acylation of pyrazolines and pyrazoline-triazole hybrids with carboxylic acids and/or substituted carboxylic acids in the absence of activating agents/catalysts. In the present study, a mechanism envisaging the in situ generation of a new transient acylating intermediate has been proposed to explain the acylation.

  DOI：

  10.1080/00397911.2015.1104357

文献信息

• An efficient and facile synthesis of novel 1,2,3-triazolyl-N-acylpyrazoline hybrids
  作者：Poovan Shanmugavelan、Murugan Sathishkumar、Sangaraiah Nagarajan、Alagusundaram Ponnuswamy

  DOI：10.1016/j.cclet.2013.10.015

  日期：2014.1

  An efficient and facile synthesis of a library of hitherto novel 1,2,3-triazolyl-N-acetyl/N-propionylpyrazoline hybrids (16 examples) in excellent yields (90%-96%) has been accomplished from easily accessible 1,2,3-triazolyl chalcone precursors. (C) 2013 Alagusundaram Ponnuswamy. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.