[(N-methyl-N,N',N'-tris(2-pyridylmethyl)ethane-1,2-diamine)Mn(II)](2+) | 302542-85-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: [(N-methyl-N,N',N'-tris(2-pyridylmethyl)ethane-1,2-diamine)Mn(II)](2+)
• CAS: 302542-85-4
• 化学式: C₂₁H₂₅MnN₅
• 分子量: 402.401
• InChiKey: NWTWBFSAYKFANC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.0
• 重原子数：
  27.0
• 可旋转键数：
  9.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  45.15
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  potassium superoxide 、 [(N-methyl-N,N',N'-tris(2-pyridylmethyl)ethane-1,2-diamine)Mn(II)](2+) 以 二甲基亚砜 、 乙腈 为溶剂， 生成 [Mn^III(O₂)(N-methyl-N,N0,N0-tris(2-pyridylmethyl)ethane-1,2-diamine)]+
  参考文献：
  名称：

  Reactivity of Mn^II with Superoxide. Evidence for a [Mn^IIIOO]⁺ Unit by Low-Temperature Spectroscopies

  摘要：

  Manganese superoxide dismutase cycles between the Mn-III and Mn-II states to produce oxygen and hydrogen peroxide from superoxide. The formation of an adduct has been suggested, but its nature remains questionable because both [(MnOO-)-O-II] and [(MnOO2-)-O-III] redox states have been proposed. Study of the reactivity of superoxide with manganese complexes is of current interest. The reaction of [(L)Mn-II](2+) [L = N-methyl-N,N',N'-tris(2-pyridylmethyl)ethane-1,2-diamine] with potassium superoxide has been investigated at low temperature in an anhydrous solvent using various techniques. Upon the addition of ca. 2 equiv of potassium superoxide, the [(L)Mn-II](2+) colorless solution turned blue and the UV-vis spectrum displayed a band at 590 nm (165 M-1 cm(-1)) and a shoulder at 430 nm (100 M-1 cm(-1)). Electrospray ionization mass spectrometry showed a peak (m/z = 434.1) assigned to [(L)MnO2](+). The X-band electron paramagnetic resonance spectrum parallel mode displayed a six-line signal separated by 6.6 mT and centered at 86 mT (g = 8.1). These results support the formation of an [(MnOO)-O-III](+) adduct.

  DOI：

  10.1021/ic062063+
• 作为产物：
  描述：

  manganese(II) triflate 、 N-methyl-N,N',N'-tris(2-pyridylmethyl)ethane-1,2-diamine 以 二甲基亚砜 、 乙腈 为溶剂， 生成 [(N-methyl-N,N',N'-tris(2-pyridylmethyl)ethane-1,2-diamine)Mn(II)](2+)
  参考文献：
  名称：

  Reactivity of Mn^II with Superoxide. Evidence for a [Mn^IIIOO]⁺ Unit by Low-Temperature Spectroscopies

  摘要：

  Manganese superoxide dismutase cycles between the Mn-III and Mn-II states to produce oxygen and hydrogen peroxide from superoxide. The formation of an adduct has been suggested, but its nature remains questionable because both [(MnOO-)-O-II] and [(MnOO2-)-O-III] redox states have been proposed. Study of the reactivity of superoxide with manganese complexes is of current interest. The reaction of [(L)Mn-II](2+) [L = N-methyl-N,N',N'-tris(2-pyridylmethyl)ethane-1,2-diamine] with potassium superoxide has been investigated at low temperature in an anhydrous solvent using various techniques. Upon the addition of ca. 2 equiv of potassium superoxide, the [(L)Mn-II](2+) colorless solution turned blue and the UV-vis spectrum displayed a band at 590 nm (165 M-1 cm(-1)) and a shoulder at 430 nm (100 M-1 cm(-1)). Electrospray ionization mass spectrometry showed a peak (m/z = 434.1) assigned to [(L)MnO2](+). The X-band electron paramagnetic resonance spectrum parallel mode displayed a six-line signal separated by 6.6 mT and centered at 86 mT (g = 8.1). These results support the formation of an [(MnOO)-O-III](+) adduct.

  DOI：

  10.1021/ic062063+

文献信息

• [Mn(tmc)(O2)]+: A Side-On Peroxido Manganese(III) Complex Bearing a Non-Heme Ligand
  作者：Mi Sook Seo、Ja Young Kim、Jamespandi Annaraj、Youngmee Kim、Yong-Min Lee、Sung-Jin Kim、Jinheung Kim、Wonwoo Nam

  DOI：10.1002/anie.200603414

  日期：2007.1.8