N,N-bis(6-methyl-2-pyridylmethyl)-3-aminopropionic acid

• 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: N,N-bis(6-methyl-2-pyridylmethyl)-3-aminopropionic acid
• 英文别名: 3-[Bis[(6-methylpyridin-2-yl)methyl]amino]propanoic acid；3-[bis[(6-methylpyridin-2-yl)methyl]amino]propanoic acid
• 化学式: C₁₇H₂₁N₃O₂
• 分子量: 299.373
• InChiKey: GJNKVJJLPIHKGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  66.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N,N-bis(6-methyl-2-pyridylmethyl)-3-aminopropionic acid 、 iron(II) perchlorate hexahydrate 以 甲醇 为溶剂， 生成 [Fe(N,N-bis(6-methyl-2-pyridylmethyl)-3-aminopropionate)(H2O](1+)
  参考文献：
  名称：

  A Mononuclear Peracetatoiron(III) Complex: Structural and Spectroscopic Characterization, and Oxidation Reactivity

  摘要：

  在铁(II)络合物[Fe(6Me2-BPP)(H2O)]+ (1) 与过乙酸的反应中，制备出了具有三足配体（6Me2-BPP）的单核过乙酰铁(III)络合物[Fe(6Me2-BPP)(CH3C(O)O2)]+ (2)。2 是第一个在结构和光谱上定义明确的非血红素型过乙酰铁（III）络合物，对三苯基膦、某些烯烃和金刚烷的三级 C-H 键具有适度的氧化能力。

  DOI：

  10.1246/cl.2011.515
• 作为产物：
  描述：

  3-溴丙酸 、 bis(6-methyl-2-pyridylmethyl)amine 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 18.0h， 以59%的产率得到N,N-bis(6-methyl-2-pyridylmethyl)-3-aminopropionic acid
  参考文献：
  名称：

  Structural and Spectroscopic Characterization of (μ-Hydroxo or μ-Oxo)(μ-peroxo)diiron(III) Complexes:  Models for Peroxo Intermediates of Non-Heme Diiron Proteins

  摘要：

  (mu-Hydroxo or oxo)(mu-1,2-peroxo)diiron(III) complexes having a tetradentate tripodal ligand (L) containing a carboxylate sidearm [Fe2(mu-OH or mu-O)(mu-O2)(L)2]n+ were synthesized as models for peroxo-intermediates of non-heme diiron proteins and characterized by various physicochemical measurements including X-ray analysis, which provide fundamental structural and spectroscopic insights into the peroxodiiron(III) complexes.

  DOI：

  10.1021/ja045594a

文献信息

• A Mononuclear Peracetatoiron(III) Complex: Structural and Spectroscopic Characterization, and Oxidation Reactivity
  作者：Xi Zhang、Hideki Furutachi、Tomonori Tojo、Tomohiro Tsugawa、Shuhei Fujinami、Takeshi Sakurai、Masatatsu Suzuki

  DOI：10.1246/cl.2011.515

  日期：2011.5.5

  A mononuclear peracetatoiron(III) complex [Fe(6Me2-BPP)(CH3C(O)O2)]+ (2) with a tripodal ligand (6Me2-BPP) was prepared in the reaction of an iron(II) complex [Fe(6Me2-BPP)(H2O)]+ (1) with peracetic acid. 2 is the first example of a structurally and spectroscopically well-defined non-heme type peracetatoiron(III) complex and has modest oxidation ability toward triphenyl phosphine, some olefins, and the tertiary C–H bond of adamantane.

  在铁(II)络合物[Fe(6Me2-BPP)(H2O)]+ (1) 与过乙酸的反应中，制备出了具有三足配体（6Me2-BPP）的单核过乙酰铁(III)络合物[Fe(6Me2-BPP)(CH3C(O)O2)]+ (2)。2 是第一个在结构和光谱上定义明确的非血红素型过乙酰铁（III）络合物，对三苯基膦、某些烯烃和金刚烷的三级 C-H 键具有适度的氧化能力。
• Structural and Spectroscopic Characterization of (μ-Hydroxo or μ-Oxo)(μ-peroxo)diiron(III) Complexes:  Models for Peroxo Intermediates of Non-Heme Diiron Proteins
  作者：Xi Zhang、Hideki Furutachi、Shuhei Fujinami、Shigenori Nagatomo、Yonezo Maeda、Yoshihito Watanabe、Teizo Kitagawa、Masatatsu Suzuki

  DOI：10.1021/ja045594a

  日期：2005.1.1

  (mu-Hydroxo or oxo)(mu-1,2-peroxo)diiron(III) complexes having a tetradentate tripodal ligand (L) containing a carboxylate sidearm [Fe2(mu-OH or mu-O)(mu-O2)(L)2]n+ were synthesized as models for peroxo-intermediates of non-heme diiron proteins and characterized by various physicochemical measurements including X-ray analysis, which provide fundamental structural and spectroscopic insights into the peroxodiiron(III) complexes.