2-(3,5-dimethylpyrazol-1-ylmethyl)-6-(pyrazol-1-ylmethyl)pyridine | 138682-25-4

• 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: 2-(3,5-dimethylpyrazol-1-ylmethyl)-6-(pyrazol-1-ylmethyl)pyridine
• 英文别名: 2-[(3,5-Dimethylpyrazol-1-yl)methyl]-6-(pyrazol-1-ylmethyl)pyridine
• CAS: 138682-25-4
• 化学式: C₁₅H₁₇N₅
• 分子量: 267.333
• InChiKey: IVCMOIDDBDZFIG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  48.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  manganese(II) perchlorate hexahydrate 、 2-(3,5-dimethylpyrazol-1-ylmethyl)-6-(pyrazol-1-ylmethyl)pyridine 以 乙醇 、 水 为溶剂， 以76%的产率得到
  参考文献：
  名称：

  Consequences of electronic/steric effects on monochelate and bischelate manganese(II) (S = ) complexes using pyridinylpyrazole ligands. Synthesis and electrochemistry

  摘要：

  A group of three high-spin manganese(II) bis-chelates were synthesized using tridentate 2,6-bis(pyrazol-1-ylmethyl)pyridine and its methyl substituted derivatives. The complexes were isolated as crystalline diperchlorate salts. Two five-coordinate mono-chelates with two chlorides as co-ligands were also synthesized. All the complexes were characterized using conventional physico-chemical techniques. Nucleophilic halide displacement reactions in water on the dichloro complexes afforded aqua complexes. When examined by cyclic voltammetry each complex displays an irreversible Mn(III)/Mn(II) couple. The trends in the anodic peak potentials are rationalized on the basis of electronic/steric effects of the methyl groups present near the donor site.

  DOI：

  10.1016/s0277-5387(00)83160-5

文献信息

• Consequences of incremental steric crowding at the Fe II N6(S= 2) co-ordination sphere. Synthesis, spectra and electrochemistry
  作者：Samiran Mahapatra、Nishi Gupta、Rabindranath Mukherjee

  DOI：10.1039/dt9910002911

  日期：——

  for these ligands with iron(II) and nickel(II) in the grossly octahedral complexes. The iron(II) complexes also display metal-to-ligand charge-transfer (m.l.c.t.) transition at ca. 360 nm. Cyclic voltammetric studies (MeCN solutions) reveal reversible one-electron FeIII–FeII redox couples at high potentials [1.06–1.22 V vs. saturated calomel electrode (SCE)]. The electrochemical experiments further corroborate

  已经探索了与供体原子相邻的甲基取代基对新型三齿（N 3）杂环配体族的络合性质的影响。在此研究过程中，合成了一组新的高自旋铁（II）配合物。Fe II N 6配位溶液的表征是基于顺磁位移1 H NMR光谱进行的。对于大八面体配合物中具有铁（II）和镍（II）的这些配体，增加的空间拥挤逐渐降低了10 Dq的值。铁（二））配合物还显示出金属到配体的电荷转移（mlct）跃迁。360纳米 循环伏安研究（MeCN溶液）揭示了在高电势下[1.06–1.22 V对饱和甘汞电极（SCE）]的可逆单电子Fe III –Fe II氧化还原对。电化学实验进一步证实了以下事实：在本系统中，由于3-Me取代基引起的空间效应高于5-Me取代基的电子贡献。
• Highest CoIII-CoII redox potential in CoIIN6 (S = ) complexes of tridentate ligands. Predominance of steric over electronic effect
  作者：S Mahapatra、T.K Lal、R.N Mukherjee

  DOI：10.1016/s0277-5387(00)84585-4

  日期：1993.1

  Using the tridentate ligand 2,6-bis(pyrazol-1-ylmethyl)pyridine and its methyl-substituted derivatives a new group of high-spin grossly octahedral cobalt(II) complexes has been synthesized and characterized. The field strength of these ligands with high-spin cobalt(II) progressively decreases with an increase in the number of methyl substituents near the donor site, as revealed from their crystal-field spectral analysis. The trends in the anodic peak potentials (Co(III)-Co(II) couple with E1/2/E(pa) values of 0.78-1.06 V vs S.C.E.) are rationalized on the basis of predominance of the steric effect over the electronic effect of the methyl groups present near the donor site.