4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-6-phenylpyrimidine | 327100-59-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-6-phenylpyrimidine
• 英文别名: 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-phenylpyrimidine
• CAS: 327100-59-4
• 化学式: C₁₆H₁₆N₄
• 分子量: 264.33
• InChiKey: AWDUQJNPFOLYTC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  43.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-6-phenylpyrimidine 、 copper(ll) bromide 以 乙醇 为溶剂， 以86%的产率得到dibromo(4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-6-phenylpyrimidine)copper(II)
  参考文献：
  名称：

  Copper(II) complexes with 4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-6-phenylpyrimidine: Syntheses, crystal structures and catalytic activity in ethylene polymerization

  摘要：

  The copper(II) complexes CuLCl2 (1) and CuLBr2 (2), with the chelating pyrazolylpyrimidine ligand 4-(3,5-dimethyl-H-1-pyrazol-1-yl)-2-methyl-6-phenylpyrimidine (L), have been synthesized. A single crystal Xray diffraction study revealed that 1 and 2 have molecular mononuclear structures. The molecules of 1 and 2 form chains in the crystal structures of these compounds due to the formation of pi-pi-stacking interactions between the pyrimidine and the phenyl rings. The complexes, in combination with the co-catalyst methylaluminoxane (MAO), reveal catalytic activity in ethylene polymerization, while the free ligand L is inactive. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.09.024
• 作为产物：
  描述：

  4-hydrazino-2-methyl-6-phenylpyrimidine 、 乙酰丙酮 以 乙醇 为溶剂， 反应 6.0h， 以92%的产率得到4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-6-phenylpyrimidine
  参考文献：
  名称：

  Copper(II) complexes with 4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-6-phenylpyrimidine: Syntheses, crystal structures and catalytic activity in ethylene polymerization

  摘要：

  The copper(II) complexes CuLCl2 (1) and CuLBr2 (2), with the chelating pyrazolylpyrimidine ligand 4-(3,5-dimethyl-H-1-pyrazol-1-yl)-2-methyl-6-phenylpyrimidine (L), have been synthesized. A single crystal Xray diffraction study revealed that 1 and 2 have molecular mononuclear structures. The molecules of 1 and 2 form chains in the crystal structures of these compounds due to the formation of pi-pi-stacking interactions between the pyrimidine and the phenyl rings. The complexes, in combination with the co-catalyst methylaluminoxane (MAO), reveal catalytic activity in ethylene polymerization, while the free ligand L is inactive. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.09.024

文献信息

• Copper(II) complexes with 4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-6-phenylpyrimidine: Syntheses, crystal structures and catalytic activity in ethylene polymerization
  作者：Mark B. Bushuev、Viktor P. Krivopalov、Elizaveta V. Lider、Nina V. Semikolenova、Natalia V. Pervukhina、Dmitrii Yu. Naumov、Ludmila G. Lavrenova、Vladimir A. Zakharov、Stanislav V. Larionov

  DOI：10.1016/j.poly.2011.09.024

  日期：2012.1

  The copper(II) complexes CuLCl2 (1) and CuLBr2 (2), with the chelating pyrazolylpyrimidine ligand 4-(3,5-dimethyl-H-1-pyrazol-1-yl)-2-methyl-6-phenylpyrimidine (L), have been synthesized. A single crystal Xray diffraction study revealed that 1 and 2 have molecular mononuclear structures. The molecules of 1 and 2 form chains in the crystal structures of these compounds due to the formation of pi-pi-stacking interactions between the pyrimidine and the phenyl rings. The complexes, in combination with the co-catalyst methylaluminoxane (MAO), reveal catalytic activity in ethylene polymerization, while the free ligand L is inactive. (C) 2011 Elsevier Ltd. All rights reserved.