3,5-bis(4-methylpyrazol-1-yl)-4-methylpyrazole | 24086-17-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3,5-bis(4-methylpyrazol-1-yl)-4-methylpyrazole
• 英文别名: 4-methyl-3,5-bis(4-methylpyrazol-1-yl)-1H-pyrazole
• CAS: 24086-17-7
• 化学式: C₁₂H₁₄N₆
• 分子量: 242.283
• InChiKey: AVZZTUXNPRUQHT-UHFFFAOYSA-N

物化性质

• 沸点：
  501.9±50.0 °C(Predicted)
• 密度：
  1.36±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  64.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  di-μ-chloro-bis(1,5-cyclooctadiene)dirhodium 、 3,5-bis(4-methylpyrazol-1-yl)-4-methylpyrazole 在 KOH 作用下， 以 甲醇 、 丙酮 为溶剂， 以65%的产率得到rhodium(I)(COD)(3,5-bis(4-methylpyrazol-1-yl)-4-methylpyrazol-1-yl)
  参考文献：
  名称：

  Rhodium(I) complexes with the polydentate ligand 3,5-bis(4-methylpyrazol-1-yl)-4-methylpyrazole

  摘要：

  The behaviour towards Rh(I) of a new ligand containing three linked pyrazoles (HLL) has been studied. Depending on which diolefin, COD or TFB, is used, mono or dinuclear complexes are obtained. The structures of the four complexes, [RhCl(COD)(HLL)], [{RhCl(TFB)}2(mu-HLL)], [Rh(LL)(COD)] and [{Rh(TFB)}2(mu-LL)]BF4, have been established by H-1 and C-13 NMR spectroscopy. In most cases, the NMR spectra reveal fluxional processes involving not only the Rh(I) metal but also the N-H proton and the diolefin.

  DOI：

  10.1016/0022-328x(91)86061-t
• 作为产物：
  描述：

  4-甲基吡唑 在 溴 作用下， 反应 3.0h， 以48%的产率得到3,5-bis(4-methylpyrazol-1-yl)-4-methylpyrazole
  参考文献：
  名称：

  Perrin, Monique; Thozet, Alain; Cabildo, Pilar, Canadian Journal of Chemistry, 1993, vol. 71, # 9, p. 1443 - 1449

  摘要：

  DOI：

文献信息

• Huettel, Rudolf; Schaefer, Otto; Jochum, Peter, Justus Liebigs Annalen der Chemie, 1955, vol. 593, p. 200 - 207
  作者：Huettel, Rudolf、Schaefer, Otto、Jochum, Peter

  DOI：——

  日期：——
• Perrin, Monique; Thozet, Alain; Cabildo, Pilar, Canadian Journal of Chemistry, 1993, vol. 71, # 9, p. 1443 - 1449
  作者：Perrin, Monique、Thozet, Alain、Cabildo, Pilar、Claramunt, Rosa Ma、Valenti, Eduard、Elguero, Jose

  DOI：——

  日期：——
• Rhodium(I) complexes with the polydentate ligand 3,5-bis(4-methylpyrazol-1-yl)-4-methylpyrazole
  作者：R.M. Claramunt、C. Lopez、D. Sanz、J. Elguero、D. Carmona、M. Esteban、L.A. Oro、M. Begtrup

  DOI：10.1016/0022-328x(91)86061-t

  日期：1991.7

  The behaviour towards Rh(I) of a new ligand containing three linked pyrazoles (HLL) has been studied. Depending on which diolefin, COD or TFB, is used, mono or dinuclear complexes are obtained. The structures of the four complexes, [RhCl(COD)(HLL)], [RhCl(TFB)}2(mu-HLL)], [Rh(LL)(COD)] and [Rh(TFB)}2(mu-LL)]BF4, have been established by H-1 and C-13 NMR spectroscopy. In most cases, the NMR spectra reveal fluxional processes involving not only the Rh(I) metal but also the N-H proton and the diolefin.