4,6-bis(3-methyl-pyrazolyl)pyrimidine | 1219820-20-8

• 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: 4,6-bis(3-methyl-pyrazolyl)pyrimidine
• 英文别名: 4,6-bis(3-methylpyrazolyl)pyrimidine；4,6-Bis(3-methylpyrazol-1-yl)pyrimidine；4,6-bis(3-methylpyrazol-1-yl)pyrimidine
• CAS: 1219820-20-8
• 化学式: C₁₂H₁₂N₆
• 分子量: 240.267
• InChiKey: HUXSNNXMHQCINK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  61.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [RuCl2(benzene)]2 、 ammonium hexafluorophosphate 、 4,6-bis(3-methyl-pyrazolyl)pyrimidine 以 甲醇 为溶剂， 以74.7%的产率得到[(η6-C6H6)2Ru2Cl2(4,6-bis(3-methylpyrazolyl)pyrimidine)][PF6]2
  参考文献：
  名称：

  Mono and dinuclear half-sandwich platinum group metal complexes bearing pyrazolyl-pyrimidine ligands: Syntheses and structural studies

  摘要：

  Reactions of 0.5 eq. of the dinuclear complexes [(eta(6)-arene)Ru(mu-Cl)Cl](2) (arene = eta(6)-C6H6, eta(6)-p-(PrC6H4Me)-Pr-i) and [(Cp*)M(mu-Cl)Cl](2) (M = Rh, Ir; Cp* = eta(5)-C5Me5) with 4,6-disubstituted pyrazolyl-pyrimidine ligands (L) viz. 4,6-bis(pyrazolyl) pyrimidine (L1), 4,6-bis(3-methyl-pyrazolyl)pyrimidine (L2), 4,6-bis(3,5-dimethyl-pyrazolyl) pyrimidine (L3) lead to the formation of the cationic mononuclear complexes [(eta(6)-C6H6)Ru(L)Cl](+) (L = L1, 1; L2, 2; L3, 3), [(eta(6)-p-(PrC6H4Me)-Pr-i)Ru(L)Cl](+) (L = L1, 4; L2, 5; L3, 6), [(Cp*)Rh(L)Cl](+) (L = L1, 7; L2, 8; L3, 9) and [(Cp*)Ir(L)Cl](+) (L = L1, 10; L2, 11; L3, 12), while reactions with 1.0 eq. of the dinuclear complexes [(eta(6)-arene)Ru(mu-Cl)Cl](2) and [(Cp*)M(mu-Cl)Cl](2) give rise to the dicationic dinuclear complexes [{(eta(6)-C6H6)RuCl}(2)(L)](2+) (L = L1, 13; L2, 14; L3, 15), [{(eta(6)-p-(PrC6H4Me)-Pr-i)RuCl}(2)(L)](2+) ( L = L1, 16; L2, 17; L3, 18), [{(Cp*)RhCl}(2)(L)](2+) (L = L1, 19; L2, 20; L3, 21) and [{(Cp*)IrCl}(2)(L)](2+) (L = L1 22; L2, 23; L3 24). The molecular structures of [3]PF6, [6]PF6, [7]PF6 and [18](PF6)(2) have been established by single crystal X-ray structure analysis. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.11.030
• 作为产物：
  描述：

  4,6-二氯嘧啶 、 3-甲基吡唑 在 氢化钾 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 以57.8%的产率得到4,6-bis(3-methyl-pyrazolyl)pyrimidine
  参考文献：
  名称：

  Mono and dinuclear half-sandwich platinum group metal complexes bearing pyrazolyl-pyrimidine ligands: Syntheses and structural studies

  摘要：

  Reactions of 0.5 eq. of the dinuclear complexes [(eta(6)-arene)Ru(mu-Cl)Cl](2) (arene = eta(6)-C6H6, eta(6)-p-(PrC6H4Me)-Pr-i) and [(Cp*)M(mu-Cl)Cl](2) (M = Rh, Ir; Cp* = eta(5)-C5Me5) with 4,6-disubstituted pyrazolyl-pyrimidine ligands (L) viz. 4,6-bis(pyrazolyl) pyrimidine (L1), 4,6-bis(3-methyl-pyrazolyl)pyrimidine (L2), 4,6-bis(3,5-dimethyl-pyrazolyl) pyrimidine (L3) lead to the formation of the cationic mononuclear complexes [(eta(6)-C6H6)Ru(L)Cl](+) (L = L1, 1; L2, 2; L3, 3), [(eta(6)-p-(PrC6H4Me)-Pr-i)Ru(L)Cl](+) (L = L1, 4; L2, 5; L3, 6), [(Cp*)Rh(L)Cl](+) (L = L1, 7; L2, 8; L3, 9) and [(Cp*)Ir(L)Cl](+) (L = L1, 10; L2, 11; L3, 12), while reactions with 1.0 eq. of the dinuclear complexes [(eta(6)-arene)Ru(mu-Cl)Cl](2) and [(Cp*)M(mu-Cl)Cl](2) give rise to the dicationic dinuclear complexes [{(eta(6)-C6H6)RuCl}(2)(L)](2+) (L = L1, 13; L2, 14; L3, 15), [{(eta(6)-p-(PrC6H4Me)-Pr-i)RuCl}(2)(L)](2+) ( L = L1, 16; L2, 17; L3, 18), [{(Cp*)RhCl}(2)(L)](2+) (L = L1, 19; L2, 20; L3, 21) and [{(Cp*)IrCl}(2)(L)](2+) (L = L1 22; L2, 23; L3 24). The molecular structures of [3]PF6, [6]PF6, [7]PF6 and [18](PF6)(2) have been established by single crystal X-ray structure analysis. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.11.030