2-((3,5-diphenyl-1H-pyrazol-1-yl)methyl)pyridine | 1166403-10-6

• 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-((3,5-diphenyl-1H-pyrazol-1-yl)methyl)pyridine
• 英文别名: 2-[(3,5-diphenylpyrazol-1-yl)methyl]pyridine；2-(3,5-diphenylpyrazol-1-ylmethyl)pyridine；2-(3,5-Diphenylpyrazol-1-ylmethyl)pyridine
• CAS: 1166403-10-6
• 化学式: C₂₁H₁₇N₃
• 分子量: 311.386
• InChiKey: OHCIQNLAOPYJDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-((3,5-diphenyl-1H-pyrazol-1-yl)methyl)pyridine 、 nickel dichloride 以 二氯甲烷 为溶剂， 以72%的产率得到Ni(2-((3,5-diphenyl-1H-pyrazol-1-yl)methyl)pyridine)Cl2
  参考文献：
  名称：

  Vinyl-addition polymerization of norbornene catalyzed by (pyrazol-1-ylmethyl)pyridine divalent iron, cobalt and nickel complexes

  摘要：

  Complexes of 2-((3,5-dimethyl)-1H-pyrazol-1-ylmethyl)pyridine (L1), 2-((3,5-ditert-butyl-1H-pyrazol-1-yl)methyl)pyridine (L2), 2-((3,5-diphenyl)-1H-pyrazol-1-yl)methyl)pyridine (L3), 2-((3,5-bis(trifluoromethyl)-1H-pyrazol-1-ylmethyl)pyridine (L4) and 2,6-bis(3,5-dimethyl-1H-pyrazol-1-y1)methyl) pyridine (L5) with cobalt(II), iron(II) and nickel(II), Ni(L1)Cl-2 (1), Co(L1)Cl-2 (2), Fe(L1)Cl-2 (3), Ni(L2)Cl-2 (4), Ni(L3)Cl-2 (5), Co(L3)Cl-2 (6), Fe(L3)Cl-2 (7), Ni(L4)Cl-2 (8) and Ni(L5)Cl-2 (9), were used as catalyst precursors to produce vinyl-addition type norbornene polymers. Both the identity of the metal center and nature of ligand affected the polymerization behaviour of the resultant catalysts. Nickel catalysts were generally more active than the corresponding iron and cobalt analogues. The polynorbornene produced have high molecular weights (0.5-2.1 x 10(6) g/mol) and narrow molecular weight distributions. Analyses of polymer microstructure using NMR and IR spectroscopy confirmed the polymers produced to be vinyl-addition polynorbornene. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.08.021

文献信息

• Neutral and cationic (pyrazolylmethyl)pyridine palladium(II) complexes: kinetics and chemoselectivity studies in hydrogenation of alkenes and alkynes
  作者：Stephen O. Ojwach、Aloice O. Ogweno

  DOI：10.1007/s11243-016-0050-7

  日期：2016.8

  [PdClMe(COD)] afforded the respective neutral palladium complexes, [PdCl2(L1)] (1), [PdCl2(L2)] (2) and [PdClMe(L1)] (3). Treatment of complex 1 with equimolar amounts of PPh3 or PPh3/NaBAr4 produced the corresponding cationic complexes [Pd(L1)ClPPh3]Cl (4) and [Pd(L1)ClPPh3]BAr4 (5), respectively. Complexes 1–5 formed active catalysts in hydrogenation of alkenes and alkynes. Isomerization reactions were

  (3,5-二甲基吡唑基甲基)吡啶(L1)和(3,5-二苯基吡唑基甲基)吡啶(L2)与[PdCL2(NCMe)2]或[PdClMe(COD)]反应得到各自的中性钯配合物[PdCL2 (L1)] (1)、[PdCL2(L2)] (2) 和 [PdClMe(L1)] (3)。用等摩尔量的 PPh3 或 PPh3/NaBAr4 处理配合物 1 分别产生相应的阳离子配合物 [Pd(L1)ClPPh3]Cl (4) 和 [Pd(L1)ClPPh3]BAr4 (5)。配合物 1-5 在烯烃和炔烃的加氢中形成活性催化剂。异构化反应在末端烯烃的加氢反应中占主导地位，而炔烃的加氢在形成相应的烯烃之前涉及通过烯烃中间体的两步过程。
• Structural and kinetic studies of the polymerization reactions of ε-caprolactone catalyzed by (pyrazol-1-ylmethyl)pyridine Cu(ii) and Zn(ii) complexes
  作者：Stephen O. Ojwach、Teddy T. Okemwa、Nelson W. Attandoh、Bernard Omondi

  DOI：10.1039/c3dt51338f

  日期：——

  The structural and kinetic studies of polymerization reactions of ε-caprolactone (ε-CL) using (pyrazolylmethyl)pyridine Cu(II) and Zn(II) complexes as initiators is described. Reactions of 2-(3,5-dimethylpyrazol-1-ylmethyl)pyridine (L1) and 2-(3,5-diphenylpyrazol-1-ylmethyl)pyridine (L2) with Zn(Ac)2·2H2O or Cu(Ac)2·2H2O produced the corresponding complexes [Zn(Ac)2(L1)] (1), [Cu(Ac)2(L1)] (2), [Zn(Ac)2(L2)]

  丁二烯聚合反应的结构和动力学研究。 ε-己内酯描述了使用（吡唑基甲基）吡啶Cu（II）和Zn（II）配合物作为引发剂的（ε-CL）。2-（3,5-二甲基吡唑-1-基甲基）吡啶（L1）和2-（3,5-二苯基吡唑-1-基甲基）吡啶（L2）与Zn（Ac）2 ·2H 2 O或Cu（ Ac）2 ·2H 2 O生成相应的络合物[Zn（Ac）2（L1）]（1），[Cu（Ac）2（L1）]（2），[Zn（Ac）2（L2）]（3）和[Cu 2（Ac）4（L2）2 ]（4）。1和4的固态结构确认复合物1和4分别是单体和二聚体，L1是1的双齿，而L2是4的单齿。的X波段EPR谱2和4表明，复杂2是既在固体和溶液状态的单体，而的桨轮结构4被保持在溶液中。配合物1-4在ε-CL的开环聚合反应中形成了活性引发剂。锌（II）配合物1和3分别显示出较高的速率常数，分别为0.044 h -1和0.096 h -1，而相应的
• (Pyrazolylmethyl)pyridine platinum(II) and gold(III) complexes: Synthesis, structures and evaluation as anticancer agents
  作者：Tebogo V. Segapelo、Ilia A. Guzei、Lara C. Spencer、Werner E Van Zyl、James Darkwa

  DOI：10.1016/j.ica.2009.02.046

  日期：2009.7

  Reactions of 2-(3,5-dimethylpyrazol-1-ylmethyl)pyridine (L1), 2-(3,5-diphenylpyrazol-1-ylmethyl)pyridine (L2), 2-(3,5-di-tert-butylpyrazol-1-ylmethyl)pyridine (L3) and 2-(3-p-tolylpyrazol-1-ylmethyl)pyridine (L4) with K-2[PtCl4] in a mixture of ethanol and water formed the dichloro platinum complexes [PtCl2(L1)] (1), [PtCl2(L2)] (2), [PtCl2(L3)] (3) and [PtCl2(L4)] (4). Complex 1, [PtCl2(L1)], could also be prepared in a mixture of acetone and water. Performing the reactions of L2 and L3 in a mixture of acetone and water, however, led to C-H activation of acetone under mild conditions to form the neutral acetonyl complexes [Pt(CH2COCH3) Cl(L2)] (2a) and [Pt(CH2COCH3) Cl(L3)] (3a). The same ligands reacted with HAuCl4 center dot 4H(2)O in a mixture of ethanol and water to form the gold salts [AuCl2(L1)][AuCl4] (5) [AuCl2(L2)][Cl] (6) [AuCl2(L3)][Cl] (7) and [AuCl2(L4)][AuCl4] (8); however, with the pyrazolyl unit in the para position of the pyridinyl ring in 4-(3,5-dimethylpyrazol-1-ylmethyl)pyridine (L5), 4-(3,5-diphenylpyrazol-1-ylmethyl)pyridine (L6) neutral gold complexes [AuCl3(L5)] (9) and [AuCl2(L6)] (10) were formed; signifying the role the position of the pyrazolyl group plays in product formation in the gold reactions. X-ray crystallographic structural determination of L6, 2, 3 3a, 8 and 10 were very important in confirming the structures of these compounds; particularly for 3a and 8 where the presence of the acetonyl group confirmed C-H activation and for 8 where the counter ion is AuCl4-. Cytotoxicity studies of L2, L4 and complexes 1-10 against HeLa cells showed the Au complexes were much less active than the Pt complexes. (C) 2009 Elsevier B. V. All rights reserved.
• Dichlorido{2-[(3,5-diphenyl-1H-pyrazol-1-yl-κN2)methyl]pyridine-κN}palladium(II)
  作者：Lara C. Spencer、Ilia A. Guzei、Tebogo V. Segapelo、James Darkwa

  DOI：10.1107/s0108270112043119

  日期：2012.11.15

  The title compound, [PdCl2(C21H17N3)], is a member of a sequence of Pd, Pt and Co dichloride complexes bearing polysubstituted (pyrazol-1-ylmethyl)pyridine ligands. It is shown that there is a correlation between the steric bulkiness of the bidentate (pyrazol-1-ylmethyl)pyridine ligands and the Pd—Npyrazoledistances,i.e.the larger the ligand, the longer the bond. In contrast, no trend is observed between the steric properties of the ligand and the Pd—Npyridinebond lengths.