pyridine-2,6-dicarboxylic acid, monosodium salt | 4220-17-1

• 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: pyridine-2,6-dicarboxylic acid, monosodium salt
• 英文别名: 2,6-pyridinedicarboxylic acid monosodium salt；sodium hydrogen 2,6-pyridine dicarboxylate；monosodium pyridine-2,6-carboxylate；dipicolinic acid, monosodium salt；sodium hydrogen dipicolinate；2,6-dipic monosodium salt；2,6-Pyridinedicarboxylic acid, monosodium salt；sodium;6-carboxypyridine-2-carboxylate
• CAS: 4220-17-1
• 化学式: C₇H₄NO₄*Na
• 分子量: 189.103
• InChiKey: FYWQWZBZNHKKSQ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.85
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  90.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  双(乙腈)氯化钯(II) 、 pyridine-2,6-dicarboxylic acid, monosodium salt 在 3-methyl-1-phenylpyrazole 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 以40%的产率得到[(sodium)2 (water)4 (2,6-di-picolinate)2 palladium(II)]
  参考文献：
  名称：

  Structure and property of unsymmetrical binuclear [(3,5-dimethylpyrazole)2Pd2(μ-3,5-dimethylpyrazolate)2(2,6-dipicolinate)] and mononuclear [Na2(H2O)4Pd(2,6-dipicolinate)2] complexes

  摘要：

  This work describes the synthesis and characterization of two Pd(II) complexes [(3,5-Hdmpz)(2)Pd-2(mu-3,5-dmpz)(2)(2,6-dipic)] (1) and [Na-2(H2O)(4)Pd(2,6-dipic)(2)] (2) (3,5-Hdmpz = 3,5-dimethylpyrazole and 2,6-dipic = 2,6-pyridinedicarboxylate). The X-ray molecular structure determination shows that 1 is a binuclear complex bridged by two 3,5-dmpz units and is completely unsymmetric since one palladium atom contains two protonated 3,5-Hdmpz ligands and the other one contains the 2,6-dipic(2-) unit that coordinates in a bidentate fashion. The central six-member Pd2N4 core shows a boat-like conformation where the palladium atoms are positioned at the vertices of the boat. The molecules are assembled in an extended zigzag one-dimensional network formed through 3,5-Hdmpz-carboxylate (2,6-dipic(2-)) hydrogen bonds. The packing of complex 2 is constructed of cationic Na+-H2O and anionic Pd-2,6-dipic(2-) units joined together to form an extended two dimensional network. Alternate short and long Na-Na distances are observed in the cationic layer. A detailed quantum-chemical calculation on the Na-chains in 2 has been made. Complex 1 shows a luminescence property and antimicrobial activity against Bacillus subtilis, Escherichia coli and Aspergillus niger where the MIC has been found to be 100 mu g/mL for all three species. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2006.05.030

文献信息

• Synthesis, crystal structures and properties of two Pd(II) and Pt(II) complexes involving 3,5-diphenylpyrazole and NO2 donor ligands
  作者：Jishnunil Chakraborty、Manas K. Saha、Pradyot Banerjee

  DOI：10.1016/j.inoche.2007.02.028

  日期：2007.6

  A pyrazolate bridged binuclear Pd(II) complex [Pd 2 (μ-dppz) 2 (Hida) 2 ] · CH 3 OH · 2H 2 O ( 1 ) (dppz = 3,5-diphenylpyrazolate) with monoprotonated iminodiacetate (Hida) and a mononuclear Pt(II) complex containing Hdppz and 2,6-pyridinedicarboxylate (2,6-dipic) [Pt(Hdppz)(2,6-dipic)] · CH 3 OH ( 2 ) have been synthesized and characterized by elemental analysis, 1 H NMR, ESI-MS and single crystal

  吡唑酯桥连双核 Pd(II) 络合物 [Pd 2 (μ-dppz) 2 (Hida) 2 ] · CH 3 OH · 2H 2 O ( 1 ) (dppz = 3,5-二苯基吡唑酸盐) 与单质子化亚氨基二乙酸酯 (Hida) 和合成了含有 Hdppz 和 2,6-吡啶二羧酸盐 (2,6-dipic) [Pt(Hdppz)(2,6-dipic)] · CH 3 OH ( 2 ) 的单核 Pt(II) 配合物，并通过元素分析对其进行了表征, 1 H NMR, ESI-MS 和单晶 X 射线衍射研究。1 的分子堆积显示了二维网络，而 2 的分子堆积构成了左手一维螺旋。两者均已注意到对枯草芽孢杆菌的中等发光特性和抗菌活性。
• Pyridine-2,6-dicarboxylate and perchlorate bridged hydrogen bonded 1D chains involving manganese(III)-cyclam moiety: synthesis, X-ray crystal structures and magnetic study
  作者：Nizamuddin Shaikh、Anangamohan Panja、Pradyot Banerjee、Maria Kubiak、Zbigniew Ciunik、Malgorzata Puchalska、Janina Legendziewicz、Pavel Vojtı́šek

  DOI：10.1016/s0020-1693(03)00380-3

  日期：2004.1

  Two compounds H[Mn(cyclam)(pyridine-2,6-dicarboxylate)(2)](H2O)-H-. (1) and [Mn-III(cyclam)Cl-2]ClO4 (2) (where cyclam = 1,4,8,11-tetraazacyclotetradecane) have been synthesized and structurally characterized. The complex I crystallizes in the monoclinic space group P2(1)/c with a = 11.4328(11), b = 14.4275(14), c = 8.5782(9) Angstrom, V = 1343.1(2) Angstrom(3), Z = 2, R = 0.0453. Complex 1 is octahedral in which [Mn(cyclam)](3+) unit occupies the basal plane having two pyridine-2,6-dicarboxylate anions in the axial positions. Molecular packing of the crystal is dominated by string of molecules along the b-axis. The strings are held together by extensive intermolecular hydrogen bonds involving N-(HO)-O-..., N-(HN)-N-... and O-(HO)-O-... which impart it an infinite 1D chain. Complex 2 on the other hand crystallizes in the space group P2(1)2(1)2(1) (No. 19) of the orthorhombic system. Mn(III) ions occupy the center of a distorted octahedron and two chloride ions occupy the axial positions. The packing diagram of 2 reveals that the complex is percholrate-bridged hydrogen bonded ID chain along a-axis. Cyclic voltammogram of complex 1 shows a reduction wave at -0.25 V coupled to an oxidation wave at -0.05 V versus SCE in aqueous solution. The complex 2 is characterized by an irreversible reduction wave at -0.11 V versus SCE and is identical to that observed for [Mn-III(cyclam)Cl-2]Cl(.)5H(2)O. The magnetic measurements in the temperature range 1.9-300 K have been carried out for complex 1 which exhibits a very weak ferromagnetic interaction at low temperature. Complex 2 shows room temperature magnetic moment value of 4.92 BM consistent with the high spin d(4) electronic configuration. (C) 2003 Elsevier B.V. All rights reserved.
• Lanjewar, R B; Garg, A N, Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 1991, vol. 30, # 4, p. 350 - 356
  作者：Lanjewar, R B、Garg, A N

  DOI：——

  日期：——