2-[3,5-bis(4-hexadecyloxyphenyl)pyrazol-1-yl]pyridine | 583032-64-8

• 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-hexadecyloxyphenyl)pyrazol-1-yl]pyridine
• 英文别名: 3,5-bis(4-n-hexadecyloxyphenyl)-1-(pyridin-2-yl)-1H-pyrazole；3,5-bis(4-n-hexadecanoxyphenyl)-1-(pyridin-2-yl)-1H-pyrazol；2-{3,5-Bis[4-(hexadecyloxy)phenyl]-1H-pyrazol-1-yl}pyridine；2-[3,5-bis(4-hexadecoxyphenyl)pyrazol-1-yl]pyridine
• CAS: 583032-64-8
• 化学式: C₅₂H₇₉N₃O₂
• 分子量: 778.218
• InChiKey: YNCAADLARLIWSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.9
• 重原子数：
  57
• 可旋转键数：
  35
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.62
• 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：

  2-[3,5-bis(4-hexadecyloxyphenyl)pyrazol-1-yl]pyridine 、 silver nitrate 以 四氢呋喃 、 乙腈 为溶剂， 反应 24.0h， 以70%的产率得到
  参考文献：
  名称：

  Selecting pyrazole-based silver complexes for efficient liquid crystal and luminescent materials

  摘要：

  DOI：

  10.1016/j.dyepig.2014.04.010

文献信息

• Mesomorphism of ionic allylpalladium(<scp>ii</scp>) complexes containing pz^R2py as ligands and [BF₄]⁻, [PF₆]⁻or [CF₃SO₃]⁻as counteranions
  作者：Mari Carmen Torralba、José Antonio Campo、José Vicente Heras、Duncan W. Bruce、Mercedes Cano

  DOI：10.1039/b601637e

  日期：——

  The synthesis and thermal behaviour is reported of some ionic liquid-crystalline complexes formed when a mesogenic, two-chained, pyrazolylpyridine ligand is bound to a η3-allylpalladium(II) fragment. The phase behaviour of the complexes is dominated by the formation of the SmA phase and, while the stability of the crystal phase appears to be controlled by intermolecular solid-state interactions, the stability of the liquid crystal phases is controlled by the length of the ligand alkoxy chains. Some of the complexes also show a complex polymorphism leading to the observation of double-melting behaviour.

  报告了中生双链吡唑吡啶配体与δ-3-烯丙基钯（II）片段结合形成的一些离子液晶配合物的合成和热行为。这些配合物的相行为主要是形成 SmA 相，晶体相的稳定性似乎受分子间固态相互作用的控制，而液晶相的稳定性则受配体烷氧基链长度的控制。一些复合物还显示出复杂的多态性，从而导致观察到双熔行为。
• Pyridylpyrazole derivatives. A new type of mesogenic bidentate ligands inducing mesomorphism on their related PdX2 complexes
  作者：M.J Mayoral、M.C Torralba、M Cano、J.A Campo、J.V Heras

  DOI：10.1016/s1387-7003(03)00053-4

  日期：2003.6

  A new family of 3,5-bis(4-n-alkyloxyphenyl)-1-(pyridin-2-yl)-IH-pyrazole ligands (pypz(R2)) and their complexes of formula c-[PdCl2 (pypz(R2))] have been synthesised and their mesomorphism was investigated. The effectiveness of the asymmetric molecular design in promoting thermotropic mesophases is greater for complexes than for the related ligands, although the latter exhibit mesophases at lower temperatures. These complexes are the first example of metallomesogens containing N,N'-bidentate ligands coordinated to PdCl2. (C) 2003 Elsevier Science 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.