2-(3-(4-methoxyphenyl)pyrazol-5-yl)pyridine | 1449278-90-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(3-(4-methoxyphenyl)pyrazol-5-yl)pyridine
• 英文别名: 2-(3-(4-methoxyphenyl)-1H-pyrazol-5-yl) pyridine；2-(3-(4-Methoxyphenyl)-1H-pyrazol-5-yl)pyridine；2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]pyridine
• CAS: 1449278-90-3
• 化学式: C₁₅H₁₃N₃O
• 分子量: 251.288
• InChiKey: LLXGOVUAPPQFJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  50.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  三苯基硼烷 、 2-(3-(4-methoxyphenyl)pyrazol-5-yl)pyridine 以 甲苯 为溶剂， 以59%的产率得到
  参考文献：
  名称：

  硼配合物的设计和合成作为敏感SERS纳米标签的新拉曼报告分子

  摘要：

  已经设计，合成了一系列由吡啶-吡唑配体组成的硼配合物，并使用固态拉曼光谱对其拉曼活性进行了评估。在大小为40的金纳米颗粒（AuNPs）上选择的染料2-（3-（吡啶-4-基）-1 H-吡唑-5-基）吡啶（P 4）的详细表面增强拉曼散射（SERS）研究nm表明，它可以检测到纳摩尔级的分子，其信号质量优于结构相似的市售报告分子（RM），使其成为敏感SERS纳米标签的合适RM。

  DOI：

  10.1002/jrs.6020
• 作为产物：
  描述：

  2-吡啶甲酸甲酯 在 sodium hydride 、 肼 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 2-(3-(4-methoxyphenyl)pyrazol-5-yl)pyridine
  参考文献：
  名称：

  硼配合物的设计和合成作为敏感SERS纳米标签的新拉曼报告分子

  摘要：

  已经设计，合成了一系列由吡啶-吡唑配体组成的硼配合物，并使用固态拉曼光谱对其拉曼活性进行了评估。在大小为40的金纳米颗粒（AuNPs）上选择的染料2-（3-（吡啶-4-基）-1 H-吡唑-5-基）吡啶（P 4）的详细表面增强拉曼散射（SERS）研究nm表明，它可以检测到纳摩尔级的分子，其信号质量优于结构相似的市售报告分子（RM），使其成为敏感SERS纳米标签的合适RM。

  DOI：

  10.1002/jrs.6020

文献信息

• Structure-Reactivity Relationships in the Hydrogenation of Carbon Dioxide with Ruthenium Complexes Bearing Pyridinylazolato Ligands
  作者：Keven Muller、Yu Sun、Andreas Heimermann、Fabian Menges、Gereon Niedner-Schatteburg、Christoph van Wüllen、Werner R. Thiel

  DOI：10.1002/chem.201204199

  日期：2013.6.10

  bond lengths of the ruthenium complexes. Furthermore, the electronic nature of the azolate moiety modulates the catalytic activity of the ruthenium complexes in the hydrogenation of carbon dioxide under supercritical conditions and in the transfer hydrogenation of acetophenone. DFT calculations were performed to shed light on the mechanism of the hydrogenation of carbon dioxide and to clarify the impact

  通过用[RuCl 2（PMe 3）4处理相应的官能化偶氮基吡啶，可以高收率获得[（N-N'）RuCl（PMe 3）3 ]类型的吡啶基氮唑基（N-N'）钌（II）配合物。]在有基地的情况下。15使用N NMR光谱来阐明与偶氮基环相连的取代基的电子影响。该发现与钌配合物的键长略有不同。此外，在超临界条件下二氧化碳的氢化和苯乙酮的转移氢化中，偶氮酸酯部分的电子性质调节了钌络合物的催化活性。进行了DFT计算，以揭示二氧化碳氢化的机理，并阐明吡啶基叠氮吡啶鎓配体的电子性质的影响。
• Silver compounds based on N,N,N-tridentate pyridylpyrazolate ligands. An opportunity to build cyclic trimetallic and oligomeric luminescent liquid crystals
  作者：Lorena Soria、Mercedes Cano、José A. Campo、M. Rosario Torres、Carlos Lodeiro

  DOI：10.1016/j.poly.2016.10.049

  日期：2017.3

  Silver pyrazolate complexes [Ag(mu-pz(R(n)py))](3) [R(n) = C6H4OCnH2n+1; 3 (n = 1); 4 (n = 10); 5 (n = 12); 6 (n = 16) and 7 (n =18)] have been prepared by reaction of Ag2O with 3-(4-n-alkyloxyphenyl)-5-(pyridin-2-yl)pyrazole ligands [Hpz(R(n)py)]. The presence of the pyridine as substituent group on the ligand seems to favour the formation of silver cyclic trimers which were isolated in the solid state, as it was supported by the X-ray single crystal structure of the derivative bearing the shortest alkyl chain [Ag(mu-pz(R(I)) (PY))](3) (3). By contrast, in CDCl3 or CD2Cl2 solution, the formation of one-dimensional coordination oligomers [Ag(mu-pz(R(n)PY))](x) is proposed. The lability and interchange of Ag-N pyrazolic bonds of the trimeric structures in polar solvents appear to be responsible for the self-organization of Ag/mu-pz(R(n)py) motifs into open-chain oligomers. However, in C6D6 solution, the presence of only one set of signals led us to consider that apolar solvents may not affect the Ag-N pyrazolic bonds, so that the cyclic trimeric structure found in the solid state could be maintained in solution. Complexes bearing the longest chains [5 (n = 12); 6 (n = 16) and 7 (n = 18)] exhibited liquid crystal behaviour showing smectic A (SmA) mesophases in agreement with the open-chain oligomeric structure proposed for the mesomorphic state. Photophysical studies performed on [Ag(mu-pz(R(12)PY))(3) (5), chosen as a representative example of the series, reveal the presence of luminescence in solution at room temperature for these materials. (C) 2016 Published by Elsevier Ltd.
• Design and synthesis of boron complexes as new Raman reporter molecules for sensitive SERS nanotags
  作者：Rashid Javaid、Nima Sayyadi、Kausala Mylvaganam、Koushik Venkatesan、Yuling Wang、Alison Rodger

  DOI：10.1002/jrs.6020

  日期：2020.12

  A new series of boron complexes consisting of pyridine‐pyrazole ligands has been designed, synthesized and evaluated for its Raman activity using solid‐state Raman spectroscopy. The detailed surface‐enhanced Raman scattering (SERS) study of selected dye 2‐(3‐(pyridin‐4‐yl)‐1H‐pyrazol‐5‐yl) pyridine (P4) on gold nanoparticles (AuNPs) of size 40 nm revealed that it can detect as small as the nanomole

  已经设计，合成了一系列由吡啶-吡唑配体组成的硼配合物，并使用固态拉曼光谱对其拉曼活性进行了评估。在大小为40的金纳米颗粒（AuNPs）上选择的染料2-（3-（吡啶-4-基）-1 H-吡唑-5-基）吡啶（P 4）的详细表面增强拉曼散射（SERS）研究nm表明，它可以检测到纳摩尔级的分子，其信号质量优于结构相似的市售报告分子（RM），使其成为敏感SERS纳米标签的合适RM。