1,5-dimethyl-3-(1'-methyl-3'-pyrazolyl)-6-oxoverdazyl | 623156-86-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,5-dimethyl-3-(1'-methyl-3'-pyrazolyl)-6-oxoverdazyl
• 英文别名: Meprv
• CAS: 623156-86-5
• 化学式: C₈H₁₁N₆O
• 分子量: 207.215
• InChiKey: QADZJACENMIREE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  54.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  水 、 四苯硼钠 、 顺-双(2,2-二吡啶)二氯化钌(II) 水合物 、 1,5-dimethyl-3-(1'-methyl-3'-pyrazolyl)-6-oxoverdazyl 以 乙醇 、 水 为溶剂， 以46%的产率得到[1,5-dimethyl-3-(1'-methyl-3'-pyrazolyl)-6-oxoverdazyl]bis(2,2'-bipyridine)ruthenium(II) tetraphenylborate monohydrate
  参考文献：
  名称：

  A pyrazole-containing verdazyl radical ligand Meprv: structure of its precursor prvH3 and its bis(2,2′-bipyridine)ruthenium(II) complex

  摘要：

  Reaction between 1,1'-dimethyl carbonic dihydrazide and pyrazole-3-carboxaldehyde gave 1,5-dimethyl-3-(3'-pyrazolyl)-6-oxotetrazane (prvH(3)) which crystallizes in the orthorhombic space group Pca2(1), with a=10.7745(4), b=8.1745(2) and c=10.6625(3) Angstrom. Dehydrogenation of prvH3 in methanol by 1,4-benzoquinone afforded the methylated radical 1,5-dimethyl-3-(1'-methyl-3'-pyrazolyl)-6-oxoverdazyL (Meprv), which reacted with cis-[Ru(bpy)(2)Cl-2] and NaBPh4 to yield the cation [Ru(bpy)(2)(Meprv)](2+) as its BPh4 salt. The absence of luminescence and the electrochemical behavior of this complex imply that the lowest (MLCT)-M-3 (metal to ligand charge transfer) excited state is located on the electron-deficient Meprv ligand. (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(03)00158-0

文献信息

• A pyrazole-containing verdazyl radical ligand Meprv: structure of its precursor prvH3 and its bis(2,2′-bipyridine)ruthenium(II) complex
  作者：Jian-Zhong Wu、Elisabeth Bouwman、Jan Reedijk、Allison M Mills、Anthony L Spek

  DOI：10.1016/s0020-1693(03)00158-0

  日期：2003.7

  Reaction between 1,1'-dimethyl carbonic dihydrazide and pyrazole-3-carboxaldehyde gave 1,5-dimethyl-3-(3'-pyrazolyl)-6-oxotetrazane (prvH(3)) which crystallizes in the orthorhombic space group Pca2(1), with a=10.7745(4), b=8.1745(2) and c=10.6625(3) Angstrom. Dehydrogenation of prvH3 in methanol by 1,4-benzoquinone afforded the methylated radical 1,5-dimethyl-3-(1'-methyl-3'-pyrazolyl)-6-oxoverdazyL (Meprv), which reacted with cis-[Ru(bpy)(2)Cl-2] and NaBPh4 to yield the cation [Ru(bpy)(2)(Meprv)](2+) as its BPh4 salt. The absence of luminescence and the electrochemical behavior of this complex imply that the lowest (MLCT)-M-3 (metal to ligand charge transfer) excited state is located on the electron-deficient Meprv ligand. (C) 2003 Elsevier Science B.V. All rights reserved.