[Fe(2-(dimethylamino)-4(3H)-pteridinonate)2(MeOH)2] | 193807-26-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: [Fe(2-(dimethylamino)-4(3H)-pteridinonate)2(MeOH)2]
• 英文别名: 2-(dimethylamino)pteridin-3-id-4-one;iron(2+);methanol
• CAS: 193807-26-0
• 化学式: C₁₈H₂₄FeN₁₀O₄
• 分子量: 500.3
• InChiKey: HKOJDWDFHPXHAV-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  N²,N²-Dimethylpterin 、 甲醇 、 iron(II) chloride 在 NaOMe 作用下， 以 甲醇 为溶剂， 以26.6%的产率得到[Fe(2-(dimethylamino)-4(3H)-pteridinonate)2(MeOH)2]
  参考文献：
  名称：

  Structures and Spectral Properties of Iron(II), Cobalt(II), and Copper(II) Complexes Involving 2-(Dimethylamino)-4(3H)-pteridinone

  摘要：

  With a view to understanding the pterin cofactor-metal ion interactions, some divalent transition metal complexes containing 2-(dimethylamino)-4(3H)-pteridinone (NDMP), M(NDMP)(2)(CH3OH)(2) (M = Fe(II) (1), Co(II) (2), Cu(II) (3)) and Fe(NDMP)(2)Cl-2 (4), have been prepared and investigated by magnetic, spectroscopic, and X-ray diffraction methods. Complexes 1, 2, and 4 were found to be in a typical high-spin state, and complex 3 was found to be in a d(x2-y2) ground state. Complexes 1-3 were structurally determined. [Fe(NDMP)2(CH3OH)(2)]. 2CH(3)OH (1) crystallizes in the triclinic system, space group , with a = 8.54(1) Angstrom, b = 9.353(10) Angstrom, c = 8.45(2) Angstrom, alpha = 96.5(1)degrees, beta = 98.3(2)degrees, gamma = 79.13(9)degrees, V = 653 Angstrom(3), and Z = 2. [Co(NDMP)(2)(CH3OH)(2)]. 2CH(3)OH (2) is isomorphous with 1 with a = 8.4753(6) Angstrom, b = 9.430(1) Angstrom, c = 8.3695(5) Angstrom, alpha = 95.885(7)degrees, beta = 98.412(6)degrees, gamma = 79.421(8)degrees, V = 648.48 Angstrom(3), and Z = 2. [Cu(NDMP)(2)(CH3OH)(2)] (3) crystallizes in the monoclinic system, space group P2(1)/a, with a = 8.428(1) Angstrom, b = 14.3857(8) Angstrom, c = 8.9570(8) Angstrom, beta = 95.225(8)degrees, V = 1081.5 Angstrom(3), and Z = 4. The final R and R-W values are 0.042 and 0.033 fbr 1, 0.056 and 0.040 for 2, and 0.040 and 0.018 for 3, respectively. The geometries around the metal ions are essentially the same, and each metal ion is octahedrally coordinated with 4-carbonyl oxygens and fi-nitrogens of NDMP molecules in the equatorial positions and two methanol molecules in the axial positions. The Fe(II) complexes 1 and 4 exhibited an absorption band centered at 568 nm (epsilon = 1900 M-1 cm(-1)) in DMF and a peak at 674 nm in the reflectance spectrum, respectively, both of which are assigned to a charge transfer. This and other spectroscopic and structural properties have been comparatively discussed.

  DOI：

  10.1021/ic961430m