3,5-dimethyl-1-[(m-nitrophenyl)methyl]-1H-pyrazole

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,5-dimethyl-1-[(m-nitrophenyl)methyl]-1H-pyrazole
• 英文别名: 3,5-Dimethyl-1-[(3-nitrophenyl)methyl]pyrazole
• 化学式: C₁₂H₁₃N₃O₂
• mdl: MFCD05995597
• 分子量: 231.254
• InChiKey: BWKJEOXJLBSEPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  63.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,5-dimethyl-1-[(m-nitrophenyl)methyl]-1H-pyrazole 在 铁粉 、 溶剂黄146 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 18.0h， 以70%的产率得到m-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]aniline
  参考文献：
  名称：

  Unsymmetrical palladium PCN pincer complexes containing pyrazolyl aminophosphine ligands

  摘要：

  Two unsymmetrical palladium pincer complexes containing pyrazolyl aminophosphine ligands have been prepared and characterized. Their solid structures were determined by X-ray single crystal diffraction studies. They were evaluated in the Suzuki coupling reactions of phenylboronic acid and various aryl chlorides. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2014.11.004
• 作为产物：
  描述：

  3,5-二甲基吡唑 、 3-硝基溴苄 以 甲苯 为溶剂， 反应 18.0h， 以70%的产率得到3,5-dimethyl-1-[(m-nitrophenyl)methyl]-1H-pyrazole
  参考文献：
  名称：

  Unsymmetrical palladium PCN pincer complexes containing pyrazolyl aminophosphine ligands

  摘要：

  Two unsymmetrical palladium pincer complexes containing pyrazolyl aminophosphine ligands have been prepared and characterized. Their solid structures were determined by X-ray single crystal diffraction studies. They were evaluated in the Suzuki coupling reactions of phenylboronic acid and various aryl chlorides. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2014.11.004

文献信息

• Unsymmetrical palladium PCN pincer complexes containing pyrazolyl aminophosphine ligands
  作者：Earl Cook、Kaoruko Iwasaki、Jason D. Masuda、Aibing Xia

  DOI：10.1016/j.poly.2014.11.004

  日期：2015.2

  Two unsymmetrical palladium pincer complexes containing pyrazolyl aminophosphine ligands have been prepared and characterized. Their solid structures were determined by X-ray single crystal diffraction studies. They were evaluated in the Suzuki coupling reactions of phenylboronic acid and various aryl chlorides. (C) 2014 Elsevier Ltd. All rights reserved.