3-(4-pyridyl)-5,6-bis(2-pyridyl)-1,2,4-triazine | 94803-00-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 3-(4-pyridyl)-5,6-bis(2-pyridyl)-1,2,4-triazine
• 英文别名: 3-pyridin-4-yl-5,6-di-pyridin-2-yl-[1,2,4]triazine；4TPT；5,6-Dipyridin-2-yl-3-pyridin-4-yl-1,2,4-triazine；5,6-dipyridin-2-yl-3-pyridin-4-yl-1,2,4-triazine
• CAS: 94803-00-6
• 化学式: C₁₈H₁₂N₆
• 分子量: 312.333
• InChiKey: DQZZEPPZZDETAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  77.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-(4-pyridyl)-5,6-bis(2-pyridyl)-1,2,4-triazine 、 bis(acetonitrile)decacarbonyltriosmium 以 二氯甲烷 为溶剂， 以53%的产率得到[HOs3(CO)10(3-(4-pyridyl)-5,6-bis(2-pyridyl)-1,2,4-triazine)]
  参考文献：
  名称：

  Isomeric clusters [HOs3(CO)10(C18H11N6)] obtained from the reaction of [Os3(CO)10(CH3CN)2] with new tris-pyridyl-1,2,4-triazines

  摘要：

  The new tris-pyridyl-as-triazines 3-(3-pyridyl)-5,6-bis(2-pyridyl)-1,2,4-triazine (3TPT) and 3-(4-pyridyl)-,6-bis(2-pyridyl)-1,2,4-triazine (4TPT) have been synthesized from the corresponding pyridyl-amidrazone and 2,2'pyridyl in good yields. The reaction of 3TPT with [Os-3(CO)(10)CH3CN)(2)] at room temperature gives the new compounds [HOs3(CO)(9)(C18H11N6)] (1 and 2) by orthometallation of the 3-pyridyl ring at the 2- and 6-positions. The reaction of 4TPT with [Os-3(CO)(10)(CH3CN)(2)] gives only one derivative, the isomer [HOs3(CO)(9)(C18H11N6)] (3) by orthometallation of the 4-pyridyl ring. In all cases, C-H activation of the 3-pyridyl or 4-pyridyl is favored, so the 2-pyridyl substituents remain uncoordinated. (C)11 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.10.064

文献信息

• Isomeric clusters [HOs3(CO)10(C18H11N6)] obtained from the reaction of [Os3(CO)10(CH3CN)2] with new tris-pyridyl-1,2,4-triazines
  作者：María C. Goite、Rubén A. Machado、Alejandro J. Arce、Ysaura De Sanctis、Yomaira Otero、Teresa Gonzalez

  DOI：10.1016/j.ica.2011.10.064

  日期：2012.3

  The new tris-pyridyl-as-triazines 3-(3-pyridyl)-5,6-bis(2-pyridyl)-1,2,4-triazine (3TPT) and 3-(4-pyridyl)-,6-bis(2-pyridyl)-1,2,4-triazine (4TPT) have been synthesized from the corresponding pyridyl-amidrazone and 2,2'pyridyl in good yields. The reaction of 3TPT with [Os-3(CO)(10)CH3CN)(2)] at room temperature gives the new compounds [HOs3(CO)(9)(C18H11N6)] (1 and 2) by orthometallation of the 3-pyridyl ring at the 2- and 6-positions. The reaction of 4TPT with [Os-3(CO)(10)(CH3CN)(2)] gives only one derivative, the isomer [HOs3(CO)(9)(C18H11N6)] (3) by orthometallation of the 4-pyridyl ring. In all cases, C-H activation of the 3-pyridyl or 4-pyridyl is favored, so the 2-pyridyl substituents remain uncoordinated. (C)11 Elsevier B. V. All rights reserved.