2-[3,5-bis(4-butoxyphenyl)-pyrazol-1-yl]pyridine | 443795-80-0

• 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-[3,5-bis(4-butoxyphenyl)-pyrazol-1-yl]pyridine
• 英文别名: 3,5-bis(4-butoxyphenyl)-1-(pyridin-2-yl)-1H-pyrazole；Pzbp2Py；3,5-bis(4-n-butoxyphenyl)-1-(pyridin-2-yl)-1H-pyrazol；2-[3,5-Bis(4-butoxyphenyl)pyrazol-1-yl]pyridine
• CAS: 443795-80-0
• 化学式: C₂₈H₃₁N₃O₂
• 分子量: 441.573
• InChiKey: NMDSZCXJFBORNX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  33
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  49.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  copper(II) tetrafluroborate hexahydrate 、 2-[3,5-bis(4-butoxyphenyl)-pyrazol-1-yl]pyridine 以 乙腈 为溶剂， 以65%的产率得到bis[3,5-bis(4-butoxyphenyl)-1-(pyridin-2-κN)-1H-pyrazole-κN(2)]bis(tetrafluoroborato-κF)-copper(II)
  参考文献：
  名称：

  具有新型吡啶基吡唑基配体的铜配合物

  摘要：

  我们报告了吡啶基吡唑型新配体的合成、表征和晶体结构，即 3,5-双（4-丁氧基苯基）-1-（吡啶-2-基）-1H-吡唑（L1）和 3， 5-bis(4-phenoxyphenyl)-1-(pyridin-2-yl)-1H-pyrazole (L2) (Scheme 1)，以及它们对CuI和CuII的配位行为的研究。说明了这种类型的配体的多功能性，它可以进入金属中心周围的不同配位球，这取决于用于制备配合物（方案 2）的铜起始材料的性质。因此，对于 [Cu(L)2]PF6、[Cu(Cl)2(L)2] (L=L1, L2)，获得了拟四面体 CuI 以及六配位四方和扭曲四方锥体 CuII 衍生物，和[Cu(Cl)(L1)2]PF6，分别。

  DOI：

  10.1002/1522-2675(200204)85:4<1079::aid-hlca1079>3.0.co;2-g
• 作为产物：
  描述：

  2-肼吡啶 、 1,3-Di-(p-n-butoxyphenyl)propane-1,3-dione 在 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 3.0h， 以75%的产率得到2-[3,5-bis(4-butoxyphenyl)-pyrazol-1-yl]pyridine
  参考文献：
  名称：

  具有新型吡啶基吡唑基配体的铜配合物

  摘要：

  我们报告了吡啶基吡唑型新配体的合成、表征和晶体结构，即 3,5-双（4-丁氧基苯基）-1-（吡啶-2-基）-1H-吡唑（L1）和 3， 5-bis(4-phenoxyphenyl)-1-(pyridin-2-yl)-1H-pyrazole (L2) (Scheme 1)，以及它们对CuI和CuII的配位行为的研究。说明了这种类型的配体的多功能性，它可以进入金属中心周围的不同配位球，这取决于用于制备配合物（方案 2）的铜起始材料的性质。因此，对于 [Cu(L)2]PF6、[Cu(Cl)2(L)2] (L=L1, L2)，获得了拟四面体 CuI 以及六配位四方和扭曲四方锥体 CuII 衍生物，和[Cu(Cl)(L1)2]PF6，分别。

  DOI：

  10.1002/1522-2675(200204)85:4<1079::aid-hlca1079>3.0.co;2-g

文献信息

• Cationic Silver Coordination Compounds of Polydentate Ligands: Supramolecular Structures of [Ag(Pz ^bp2 Py) ₂ (OSO ₂ CF ₃ )] and [Ag ₂ (Pz ^bp2 Py) ₂ (OSO ₂ CF ₃ ) ₂ ] {Pz ^bp2 Py = 2‐[3,5‐Bis(4‐butoxyphenyl)pyrazol‐1‐yl]pyridine}
  作者：M. Luz Gallego、Mercedes Cano、José A. Campo、José V. Heras、Elena Pinilla、M. Rosario Torres、Pilar Cornago、Rosa M. Claramunt

  DOI：10.1002/ejic.200500231

  日期：2005.11

  The new silver complexes [Ag(Pz b p 2 Py) 2 (OSO 2 CF 3 )], [Ag 2 (Pz b p 2 Py) 2 (OSO 2 CF 3 ) 2 ], [Ag(Pz b p Py) 2 (OSO 2 CF 3 )], [Ag 3 -(TPz b p 2 Tz)(OSO 2 CF 3 ) 3 ] and [Ag 3 (TPz b p PTz)(OSO 2 CF 3 ) 3 ] (5-9) have been obtained by reaction of Ag(OSO 2 CF 3 ) with the corresponding polydentate ligand 2-[3,5-bis(4-butoxyphenyl)pyrazol-l-yl]pyridine (Pz b p 2 Py, 1), 2-[3-(4-butoxyphenyl)pyrazol1-yl]pyridine

  新的银络合物[Ag(Pz bp 2 Py) 2 (OSO 2 CF 3 )]、[Ag 2 (Pz bp 2 Py) 2 (OSO 2 CF 3 ) 2 ]、[Ag(Pz bp Py) 2 (OSO) 2 CF 3 )]、[Ag 3 -(TPz bp 2 Tz)(OSO 2 CF 3 ) 3 ] 和[Ag 3 (TPz bp PTz)(OSO 2 CF 3 ) 3 ] (5-9) 由Ag(OSO 2 CF 3 ) 与相应的多齿配体 2-[3,5-双(4-丁氧基苯基)吡唑-1-基]吡啶 (Pz bp 2 Py, 1), 2-[3-(4) 的反应-丁氧基苯基）吡唑1-基]吡啶（Pz bp Py，2），2,4,6-三[3,5-双（4-丁氧基苯基）吡唑-1-基]-l,3,5-三嗪（TPz bp 2 Tz, 3) 和 2,4,6-tris[3-(4-butoxyphenyl)pyrazol-1-yl]-1
• New Tris(pyrazolyl)triazine and Pyrazolylpyridine Gold( <scp>I</scp> ) and Palladium( <scp>II</scp> ) Derivatives Based on the 3,5‐Bis(4‐butoxyphenyl)pyrazole Group − Architectures with Different Types of Bonding Interactions
  作者：Rosa M. Claramunt、Pilar Cornago、Mercedes Cano、José V. Heras、M. Luz Gallego、Elena Pinilla、M. Rosario Torres

  DOI：10.1002/ejic.200300039

  日期：2003.7

  (TPzbp2Tz, 1), 2-[3,5-bis(4-butoxyphenyl)pyrazol-1-yl]pyridine (Pzbp2Py, 2), and 3,5-bis(4-butoxyphenyl)pyrazole (HPzbp2, 3) ligands. The synthesis and characterisation of the new hexadentate ligand 1 are described, together with the chemistry of its metal complexes containing [Pd(η3-C3H5)]+ and [Au(PPh3)]+ fragments. The related complexes containing Pzbp2Py (2) were also studied and their structural characteristics

  3,5-双（4-丁氧基苯基）吡唑基（Pzbp2）已被用作2,4,6-三[3,5-双（4-丁氧基苯基）吡唑-的单金属和多金属衍生物的结构单元- 1-yl]-1,3,5-triazine (TPzbp2Tz, 1), 2-[3,5-bis(4-butoxyphenyl)pyrazol-1-yl]pyridine (Pzbp2Py, 2), and 3,5-bis (4-丁氧基苯基)吡唑 (HPzbp2, 3) 配体。描述了新的六齿配体 1 的合成和表征，以及其含有 [Pd(η3-C3H5)]+ 和 [Au(PPh3)]+ 片段的金属配合物的化学性质。还研究了含有 Pzbp2Py (2) 的相关复合物，并将它们的结构特征与 TPzbp2Tz 物种的结构特征进行了比较。通过[Pd(η3- )(HPzbp2)2](BF4)和[Au(HPzbp2)( PPh3)](NO3)。氢键和/或键相互作用
• Molecular architectures of cationic [Pd(η3-C3H5)(pzbp2py)]+ complexes and and as counteranions (pzbp2py=2-[3,5-bis(4-butoxyphenyl)pyrazol-1-yl]pyridine)
  作者：M.C. Torralba、M. Cano、J.A. Campo、J.V. Heras、E. Pinilla、M.R. Torres、J. Perles、C. Ruiz-Valero

  DOI：10.1016/j.jorganchem.2005.12.071

  日期：2006.6

  The crystal structures of two complexes containing the 2-[3,5-bis(4-butoxyphenyl)pyrazol-1-yl]pyridine (pz(bp2)py) ligand bonded to the [Pd(eta(3)-C3H5)](+) fragment and BF4- and CF3SO3- as counteranions (1 and 2, respectively) have been solved and their molecular architectures compared. The compounds exhibit a D-2 network based on weak interactions in which the counterion plays an important role. The molecular layers in the D-2 arrangement show interpenetration between the substituent-chains on the pyrazole rings. These features are also observed in related compounds bearing only one chain on the pyrazole ring. (c) 2006 Elsevier B.V. All rights reserved.
• Reactivity of bis(long chain substituted β-diketonato)palladium(II) [Pd(OOR2)2] towards HBF4: formation of luminescent [BF2(OOR2)] derivatives. X-ray structure of [1,3-di(4-n-butoxyphenyl)propane-1,3-dionato]difluoroboron(III)
  作者：M.J. Mayoral、M. Cano、J.A. Campo、J.V. Heras、E. Pinilla、M.R. Torres

  DOI：10.1016/j.inoche.2004.06.011

  日期：2004.8

  Reactions of [Pd(OOR2)(2)] (OOR2 = 1,3-di(4-n-alkyloxyphenyl)propane-1,3-dionato; R = C6H4OCnH2n+1, n = 14, 16, 4) with N,N'-bidentate ligands of the type bis(4-n-alkyloxyphenyl)-1-(pyridin-2-yl)-1H-pyrazoI (pypz(R2)) in the presence of HBF4 gave rise to new dioxoborane derivatives [BF2(OOR2)](1-3) as major products. Compounds 1-3 were also isolated by reaction of [Pd(OOR2)(2)] and HBF4, as well as by reaction of the corresponding beta-diketones or sodium beta-diketonates with HBF4. The new oxoboranes [BF2(OOR2)] (1-3) showed intense yellow or blue luminescence in the solid state and in the solution, respectively. The X-ray structure of 3 containing the shortest chain (R = C6H4OC4H9) evidenced the chelating coordination of the beta-diketonate ligand to the acceptor BF2 group in a boron tetrahedral environment. The molecules were packed in layers showing weak C-(HF)-F-... bifurcated interactions, which were responsible for a bi-dimensional network. (C) 2004 Elsevier B.V. All rights reserved.