ethyl <3-(2-pyridyl)-pyrazol-1-yl>acetate | 162435-10-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ethyl <3-(2-pyridyl)-pyrazol-1-yl>acetate
• 英文别名: <3-(2-Pyridyl)-1-pyrazolyl>essigsaeure-ethylester；3-(2-pyridyl)-1-(pyrazolyl)acetic acid ethylester；ethyl(3-(2-pyridyl)-1-pyrazolyl)acetate；1H-Pyrazole-1-acetic acid, 3-(2-pyridinyl)-, ethyl ester；ethyl 2-(3-pyridin-2-ylpyrazol-1-yl)acetate
• CAS: 162435-10-1
• 化学式: C₁₂H₁₃N₃O₂
• 分子量: 231.254
• InChiKey: CWVMNCORRJIPJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 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：

  cis-tetracarbonylbis(piperidine)molybdenum 、 ethyl <3-(2-pyridyl)-pyrazol-1-yl>acetate 以 甲苯 为溶剂， 以80%的产率得到tetracarbonyl[3-(2-pyridyl)-1-pyrazolylacetic acid ethylester]molybdenum(0)
  参考文献：
  名称：

  二核和三核二茂铁基取代的N-烷基吡唑基吡啶配合物的合成，氧化还原化学和固态结构

  摘要：

  通过二茂铁基取代的吡唑基吡啶与Mo（CO）4（pip）2（pip =哌啶，5）反应获得二核和三核过渡金属配合物。通过X射线结构分析确定了双核配合物四羰基{（5-二茂铁基-3-（2-吡啶基）-1-吡唑基]乙酸乙酯}钼（0）的结构6a，该配合物的氧化还原性能为当四羰基钼和二茂铁部分连接到配体系统时，可逆电位的变化与光谱参数的变化一致。

  DOI：

  10.1016/0022-328x(95)06028-u
• 作为产物：
  描述：

  3-(N,N-二甲基氨基)-1-(吡啶-2-基)-2-丙烯-1-酮 在 sodium hydride 、 肼 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 13.0h， 生成 ethyl <3-(2-pyridyl)-pyrazol-1-yl>acetate
  参考文献：
  名称：

  A convenient set of bidentate pyridine ligands for combinatorial synthesis

  摘要：

  Synthesis is reported of five pyridine-containing bidentate ligands bearing nucleophilic groups at different positions. Their efficient solid-phase alkylation was demonstrated in the synthesis of a small library. These ligands are attractive building blocks for the construction of libraries of metal-binding compounds for various purposes. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)00885-0

文献信息

• A Heterogeneous Ruthenium dmso Complex Supported onto Silica Particles as a Recyclable Catalyst for the Efficient Hydration of Nitriles in Aqueous Medium
  作者：Ester Manrique、Ingrid Ferrer、Changyong Lu、Xavier Fontrodona、Montserrat Rodríguez、Isabel Romero

  DOI：10.1021/acs.inorgchem.9b00664

  日期：2019.7.1

  complex onto two types of supports: mesoporous silica particles (SP) and silica coated magnetic particles (MSNP). First, we have prepared and characterized the molecular complexes containing the bidentate pyridylpyrazole ligands pypz-Me and pypz-CH2COOEt, with the formula [RuIICl2(pypz-R)(dmso)2] (R = Me, 1; CH2COOEt, 2). Complex 2 was anchored onto the silica supports, yielding the heterogeneous systems

  在当前的工作中，我们描述了一种有效的方法，用于将Ru-dmso复合物共价锚定在两种类型的载体上：中孔二氧化硅颗粒（SP）和二氧化硅涂层磁性颗粒（MSNP）。首先，我们制备并表征了含有双齿吡啶基吡唑配体pypz-Me和pypz-CH 2 COOEt的分子配合物，其分子式为[Ru II Cl 2（pypz-R）（dmso）2 ]（R = Me，1 ; CH 2 COOEt，2）。将络合物2固定在二氧化硅载体上，得到异种系统[受电子邮件保护]和[受电子邮件保护]通过IR，UV-vis，SEM，TEM，TGA和XPS技术对其进行了全面表征。已经在中性条件下在水性介质中用分子配合物及其[受电子邮件保护的]和[受电子邮件保护的]异质对应物测试了具有代表性的腈的水合作用。非均相催化剂显示出高收率和优异的选择性值。两种系统均可在整个循环中重复使用，用于苯甲腈和丙烯腈底物，而反应活性没有任何重大损失。受[电
• The enhanced catalytic activity and stability of oxodiperoxomolybdenum-modified mesoporous organosilicas in selective epoxidation reactions
  作者：Sankaranarayana pillai Shylesh、Mingjun Jia、Andreas Seifert、Sridhar Adappa、S. Ernst、Werner R. Thiel

  DOI：10.1039/b901600g

  日期：——

  Complexes of the type (L–L)MoO(O2)2 heterogenized on phenylene-bridged mesoporous organosilicas show a 10-fold increase in catalytic activity and a high stability in liquid phase epoxidation reactions, with H2O2 as the oxidant, compared to the corresponding MCM-41-derived systems.

  类型为(L–L)MoO(O2)2的复合物在苯烯桥接的介孔有机硅材料上被异质化，相比于相应的MCM-41衍生体系，在液相环氧化反应中，以H2O2作为氧化剂时，其催化活性提高了10倍，并且表现出较高的稳定性。
• Oxodiperoxo molybdenum modified mesoporous MCM-41 materials for the catalytic epoxidation of cycloocteneElectronic supplementary information (ESI) available: experimental data. See http://www.rsc.org/suppdata/cc/b2/b207645d/
  作者：Mingjun Jia、Werner R. Thiel

  DOI：10.1039/b207645d

  日期：2002.10.11

  A hybrid heterogeneous catalyst system, which has been synthesized by covalently anchoring oxodiperoxo molybdenum chelate complexes onto the surface of mesoporous MCM-41, is highly active and truly heterogeneous for the liquid-phase epoxidation of cyclooctene with tBuOOH as the oxygen source.

  通过将氧化二过氧钼螯合物共价锚定在介孔MCM-41表面上合成的混合非均相催化剂体系，对于以tBuOOH为氧源的环辛烯的液相环氧化具有高活性和真正的非均相。
• Spectroscopic studies of an europium(III) tris-β-diketonate complex bearing a pyrazolylpyridine ligand
  作者：António Moreira dos Santos、Ana C. Coelho、Filipe A. Almeida Paz、João Rocha、Isabel S. Gonçalves、Luís D. Carlos

  DOI：10.1016/j.jallcom.2007.04.141

  日期：2008.2

  Abstract A new europium(III) complex, Eu(BTA) 3 (ethyl[3-(2-pyridyl)-1-pyrazolyl]acetate) (where BTA: 1-benzoyl-3,3,3-trifluoroacetonate), was synthesised by simple ligand exchange with the solvent adduct Eu(BTA) 3 (H 2 O) 2 . The compound was characterised by elemental analysis, thermogravimetry, FTIR, FT Raman and photoluminescence spectroscopies. A significant increase of the 5 D 0 lifetime of the

  摘要 合成了一种新的铕 (III) 配合物 Eu(BTA) 3 ([3-(2-吡啶基)-1-吡唑基]乙酸乙酯) (其中 BTA: 1-benzoyl-3,3,3-trifluoroacetonate)通过与溶剂加合物 Eu(BTA) 3 (H 2 O) 2 的简单配体交换。通过元素分析、热重分析、FTIR、FT拉曼和光致发光光谱对该化合物进行了表征。相对于水配位加合物的值（从 0.657 ± 0.001 到 0.835 ± 0.002 ms），复合物的 5 D 0 寿命显着增加，配体水平对激发光谱的贡献更大表明前者的复合物具有更好的光致发光性能。
• New chloro and triphenylsiloxy derivatives of dioxomolybdenum(VI) chelated with pyrazolylpyridine ligands: Catalytic applications in olefin epoxidation
  作者：Sofia M. Bruno、Cláudia C.L. Pereira、Maria Salete Balula、Mariela Nolasco、Anabela A. Valente、Alan Hazell、Martyn Pillinger、Paulo Ribeiro-Claro、Isabel S. Gonçalves

  DOI：10.1016/j.molcata.2006.07.064

  日期：2007.1.2

  Dioxomolybdenum(VI) complexes of general formula [MoO2X2L2] (X=Cl, OSiPh3; L-2 =2-(1-butyl-3-pyrazolyl)pyridine, ethyl [3-(2-pyridyl)-1-pyrazolyl]acetate) were prepared and characterised by H-1 NMR, IR and Raman spectroscopy. The assignment of the vibrational spectra was supported by ab initio calculations. A single crystal X-ray diffraction study of the complex [MoO2Cl2ethyl[3-(2-pyridyl)-1-pyrazolyl]acetate}] showed that the compound is monomeric and crystallises in the tetragonal system with space group P4(1). The four complexes are active and selective catalysts for the liquid-phase epoxidation of olefins by tert-butylhydroperoxide. Selectivities to the corresponding epoxides were mostly 100% (for conversions of at least 34%) for the substrates cyclooctene, cyclododecene, I-octene, trans-2-octene and (R)-(+)-limonene. For styrene epoxidation. the corresponding diol was also formed in significant quantities. The turnover frequencies for cyclooctene epoxidation at 55 degrees C were around 340 mol mol(Mo)(-1) h(-1) for the chloro complexes and 160 mol mol(Mo)(-1) h(-1) for the triphenylsiloxy complexes. The addition of co-solvents (1,2-dichloroethane or n-hexane) had a detrimental effect on catalytic activities. Kinetic studies for the two complexes bearing the ligand ethyl[3(2-pyridyl)-1-pyrazolyl]acetate revealed an apparent first order dependence of the initial rate of cyclooctene conversion with respect to cyclooctene or oxidant concentration. (c) 2006 Elsevier B.V. All rights reserved.