ethyl 6-(pyrazol-1-yl)pyridine-2-carboxylate | 1449292-67-4

• 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: ethyl 6-(pyrazol-1-yl)pyridine-2-carboxylate
• 英文别名: ethyl 6-(pyrazol-1-yl)picolinate；6-pyrazol-1-ylpyridine-2-carboxylic acid ethyl ester；Ethyl 6-pyrazol-1-ylpyridine-2-carboxylate
• CAS: 1449292-67-4
• 化学式: C₁₁H₁₁N₃O₂
• 分子量: 217.227
• InChiKey: IEODVUXGINYBGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  57
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 6-(pyrazol-1-yl)pyridine-2-carboxylate 在 caesium carbonate 、 sodium hydroxide 作用下， 以 乙醇 、 水 、 二甲基亚砜 为溶剂， 反应 28.5h， 生成
  参考文献：
  名称：

  具有中央二氢苯并二咪唑单元的异位六齿配体形成[2x2] Zn4网格络合物

  摘要：

  双位配体是同金属和异金属超分子复合物的合适候选物。高度互变的两个对位六齿配体通过阻断互变异构现象与单个配体L分离。它们与锌（II）形成显着发散的四核网格络合物，显示出发光特性。

  DOI：

  10.1002/ejoc.202100230
• 作为产物：
  描述：

  吡唑钾盐 、 6-溴吡啶-2-羧酸乙酯 以 二乙二醇二甲醚 为溶剂， 生成 ethyl 6-(pyrazol-1-yl)pyridine-2-carboxylate
  参考文献：
  名称：

  具有中央二氢苯并二咪唑单元的异位六齿配体形成[2x2] Zn4网格络合物

  摘要：

  双位配体是同金属和异金属超分子复合物的合适候选物。高度互变的两个对位六齿配体通过阻断互变异构现象与单个配体L分离。它们与锌（II）形成显着发散的四核网格络合物，显示出发光特性。

  DOI：

  10.1002/ejoc.202100230

文献信息

• Divergent Coordination Chemistry: Parallel Synthesis of [2×2] Iron(II) Grid-Complex Tauto-Conformers
  作者：Bernhard Schäfer、Jean-François Greisch、Isabelle Faus、Tilmann Bodenstein、Ivan Šalitroš、Olaf Fuhr、Karin Fink、Volker Schünemann、Manfred M. Kappes、Mario Ruben

  DOI：10.1002/anie.201603916

  日期：2016.8.26

  coordination of iron(II) ions by a homoditopic ligand L with two tridentate chelates leads to the tautomerism‐driven emergence of complexity, with isomeric tetramers and trimers as the coordination products. The structures of the two dominant [FeII4L4]8+ complexes were determined by X‐ray diffraction, and the distinctness of the products was confirmed by ion‐mobility mass spectrometry. Moreover, these two isomers

  铁（II）离子通过同二位配体L与两个三齿螯合物的配位导致互变异构驱动的复杂性的出现，以异构四聚体和三聚体作为配位产物。通过X射线衍射确定了两种主要[Fe II 4 L 4 ] 8+配合物的结构，并通过离子淌度质谱法证实了产物的独特性。此外，这两种异构体表现出截然不同的磁性（Fe II自旋交叉与受阻的 Fe II高自旋态）。这些结果表明，金属离子与可进行互变异构化的配体的配位如何在更高的层次水平上增加复杂性，此处通过具有不同物理性质的异构分子组装体的形成来表达。这些结果对于提高我们对化学和生物学中复杂性的出现的理解非常重要。
• Polymerization of 1,3-butadiene catalyzed by pincer cobalt(II) complexes derived from 2-(1-arylimino)-6-(pyrazol-1-yl)pyridine ligands
  作者：Dirong Gong、Weiguo Jia、Tao Chen、Kuo-Wei Huang

  DOI：10.1016/j.apcata.2013.04.026

  日期：2013.8

  A new class of air stable and structurally well-defined cobalt complexes with unsymmetrical pincer type ligands ([2-(ArN=CMe)-6-(PY)C5H3N]CoCl2) (Ar = -C6H5, PY = pyrazol-1-yl, 5a; Ar = 2,4,6-Me3C6H2 Py=pyrazol-1-yl, 5b; Ar = 2,6-(Pr2C6H3)-Pr-1. Py = pyrazol-1-yl, 5c; Ar = -C6H5, Py = 3,5-Me(2)pyrazol-1-yl, 5d; Ar=2,4,6-Me3C6H2, Py 3,5-Me(2)pyrazol-1-yl, 5e; Ar = 2,6-(Pr2C6H3)-Pr-i, Py = 3,5-Me(2)pyrazol-1-yl, 5f; Ar = 2,6-(Pr2C6H3)-Pr-i, Py 3,5-(i)Pr(2)pyrazol-1-yl, 5g and [2-(O=CMe)-6-(3,5-diphenylpyrazol-1-y1)C3H3N]CoCl2 5h) were prepared and the molecular structures of 5a, 5c and 5f were determined by single crystal X-ray crystallography. Upon activation by methylaluminoxane (MAO) in toluene at room temperature, all complexes initiate polymerization of 1,3-butadiene (polymer yields: 65-99%), affording polybutadiene with excellent cis-1,4 regularity (97.5-98.7%). The polymer yields and properties in terms of molecular weight and distribution are well controlled by the substituents on iminoaryl rings and pyrazole rings. Selectivity switch from cis-1,4 to syndio-1,2 was also achievable by adding phosphine as microstructure regulator. (C) 2013 Elsevier B.V. All rights reserved.
• Influence of the charge of the complex unit on the SCO properties in pyrazolyl-pyridinyl-benzimidazole based Fe(II) complexes
  作者：C. Rajnák、B. Schäfer、I. Šalitroš、O. Fuhr、M. Ruben、R. Boča

  DOI：10.1016/j.poly.2017.06.035

  日期：2017.10

  A tridentate ligand 2-(6-pyrazol-1-yl-pyridin-2-yl)-1H-benzimidazole (L1H) has been synthesized and characterized by NMR, UV-Vis, IR and MS spectroscopy. Starting from L1H, two complexes have been prepared, one containing a complex dication counterbalanced by anions, [Fe(L1H)(2)](BR4)(2) (1), and the other one is a charge neutral complex [Fe(L-1)(2)] (2). The distorted octahedral coordination of 1 was confirmed by X-ray diffraction analysis. Both complexes show a thermally induced spin crossover with the critical temperature lying above the room temperature. The photomagnetic investigation confirmed the LIESST effect for both compounds. (C) 2017 Elsevier Ltd. All rights reserved.