2,6-dimethyl-4-(pyridin-4-yl)pyridine-3,5-dicarboxylic acid | 92149-49-0

• 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: 2,6-dimethyl-4-(pyridin-4-yl)pyridine-3,5-dicarboxylic acid
• 英文别名: 2,6-dimethyl-[4,4']bipyridinyl-3,5-dicarboxylic acid；H2mpypdc；2,6-Dimethyl-4-(4-pyridyl)-pyridin-3,5-dicarbonsaeure；2,6-Dimethyl-4-pyridin-4-ylpyridine-3,5-dicarboxylic acid；2,6-dimethyl-4-pyridin-4-ylpyridine-3,5-dicarboxylic acid
• CAS: 92149-49-0
• 化学式: C₁₄H₁₂N₂O₄
• 分子量: 272.26
• InChiKey: XCYKNCJYYBWYGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  100
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  cobalt(II) chloride hexahydrate 、 水 、 2,6-dimethyl-4-(pyridin-4-yl)pyridine-3,5-dicarboxylic acid 在 Et₃N 作用下， 以 乙醇 、 水 为溶剂， 以60%的产率得到[CoCl(2,6-dimethyl-4-(pyridin-4-yl)pyridine-3,5-dicarboxylic acid(-H))(H2O)3]
  参考文献：
  名称：

  Metal(II)-organic coordination polymers with two distinct atropisomeric building units from an axially prochiral inner salt through interchain C–H⋯X hydrogen bonds (X=O, Cl; metal=cobalt, nickel)

  摘要：

  Two isostructural photoluminescent metal-organic coordination polymers, namely, [M(H-mpypdc)(Cl)(H2O)(3)](n) (mpypdc = 2,6-dimethyl-4-(pyridin-4-yl)pyridine-3,5-dicarboxylate; M = Co (2) and Ni (3)), were synthesized from H(2)mpypdc (1), and characterized by single crystal X-ray analyses. New ligand 1 is an inner salt. In the metal-organic coordination polymeric chains, two distinct S- and R-atropisomeric units are generated from the axially prochiral 1 through C-H center dot center dot center dot X (X = O, Cl) hydrogen bonds. There have interesting 2D supramolecular networks [M(Cl)(H2O)(2)](n), in the crystal structures of title compounds. The photoluminescence of new compounds are also investigated in solid state at ambient temperature. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.04.047

文献信息

• Metal(II)-organic coordination polymers with two distinct atropisomeric building units from an axially prochiral inner salt through interchain C–H⋯X hydrogen bonds (X=O, Cl; metal=cobalt, nickel)
  作者：Kun-Lin Huang、Chang-Wen Hu

  DOI：10.1016/j.ica.2007.04.047

  日期：2007.8

  Two isostructural photoluminescent metal-organic coordination polymers, namely, [M(H-mpypdc)(Cl)(H2O)(3)](n) (mpypdc = 2,6-dimethyl-4-(pyridin-4-yl)pyridine-3,5-dicarboxylate; M = Co (2) and Ni (3)), were synthesized from H(2)mpypdc (1), and characterized by single crystal X-ray analyses. New ligand 1 is an inner salt. In the metal-organic coordination polymeric chains, two distinct S- and R-atropisomeric units are generated from the axially prochiral 1 through C-H center dot center dot center dot X (X = O, Cl) hydrogen bonds. There have interesting 2D supramolecular networks [M(Cl)(H2O)(2)](n), in the crystal structures of title compounds. The photoluminescence of new compounds are also investigated in solid state at ambient temperature. (c) 2007 Elsevier B.V. All rights reserved.