6-(3,5-dimethylpyrazol-1-ylmethyl)-6'-methyl-2,2'-bipyridine | 1159836-98-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 6-(3,5-dimethylpyrazol-1-ylmethyl)-6'-methyl-2,2'-bipyridine
• 英文别名: mpzbpy；2-[(3,5-Dimethylpyrazol-1-yl)methyl]-6-(6-methylpyridin-2-yl)pyridine；2-[(3,5-dimethylpyrazol-1-yl)methyl]-6-(6-methylpyridin-2-yl)pyridine
• CAS: 1159836-98-2
• 化学式: C₁₇H₁₈N₄
• 分子量: 278.357
• InChiKey: DNFWXRQTQLULFS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 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：

  iron(II) triflate 、 6-(3,5-dimethylpyrazol-1-ylmethyl)-6'-methyl-2,2'-bipyridine 、 异抗坏血酸 以 甲醇 为溶剂， 以72%的产率得到bis(6-(3,5-dimethylpyrazol-1-ylmethyl)-6'-methyl-2,2'-bipyridine)bis(triflate)oxalatodiiron(II)
  参考文献：
  名称：

  The system iron(II)/mpzbpy mediates the H2O2 oxidation of cyclohexane and cyclooctene and the aerobic oxidative cleavage of ascorbic acid to oxalate

  摘要：

  The iron complex generated in situ from Fe(CF(3)SO(3))(2) and the new tridentate N ligand mpzbpy (mpzbpy stands for 6-(3,5-dimethylpyrazol-1-ylmethyl)-6'-methyl-2,2'-bipyridine) mediates the room temperature oxidation of cyclohexane to cyclohexanol and cyclohexanone, and the epoxidation of cyclooctene to cyclooctene oxide. X-ray diffraction studies of single crystals obtained by reaction of iron(II) triflate with mpzbpy in methanol in the presence of ascorbic acid reveals the formation of a dinuclear complex, namely [Fe(2)(mpzbpy)(2)(C(2)O(4))(CF(3)SO(3))(2)] (1), Where two iron(II) ions are bridged by an oxalato dianion originating from the oxidative cleavage of ascorbic acid. Magnetic susceptibility measurements of 1 show that the two metallic centres are weakly anti ferromagnetically coupled, with a j value of -1.74(l) cm(-1). (c) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2008.03.032

文献信息

• The system iron(II)/mpzbpy mediates the H2O2 oxidation of cyclohexane and cyclooctene and the aerobic oxidative cleavage of ascorbic acid to oxalate
  作者：Graham de Ruiter、José Sánchez Costa、Kristian Lappalainen、Olivier Roubeau、Patrick Gamez、Jan Reedijk

  DOI：10.1016/j.inoche.2008.03.032

  日期：2008.7

  The iron complex generated in situ from Fe(CF(3)SO(3))(2) and the new tridentate N ligand mpzbpy (mpzbpy stands for 6-(3,5-dimethylpyrazol-1-ylmethyl)-6'-methyl-2,2'-bipyridine) mediates the room temperature oxidation of cyclohexane to cyclohexanol and cyclohexanone, and the epoxidation of cyclooctene to cyclooctene oxide. X-ray diffraction studies of single crystals obtained by reaction of iron(II) triflate with mpzbpy in methanol in the presence of ascorbic acid reveals the formation of a dinuclear complex, namely [Fe(2)(mpzbpy)(2)(C(2)O(4))(CF(3)SO(3))(2)] (1), Where two iron(II) ions are bridged by an oxalato dianion originating from the oxidative cleavage of ascorbic acid. Magnetic susceptibility measurements of 1 show that the two metallic centres are weakly anti ferromagnetically coupled, with a j value of -1.74(l) cm(-1). (c) 2008 Elsevier B.V. All rights reserved.