1, 4-di(3',5'-dimethyl-1H-pyrazolyl-4-yl)naphthalene

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1, 4-di(3',5'-dimethyl-1H-pyrazolyl-4-yl)naphthalene
• 英文别名: 4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)naphthalen-1-yl]-3,5-dimethyl-1H-pyrazole
• 化学式: C₂₀H₂₀N₄
• 分子量: 316.406
• InChiKey: IRDVRAAUYZCPID-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  57.4
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  cis-(2,2'-bipyridine)dinitratopalladium(II) 、 1, 4-di(3',5'-dimethyl-1H-pyrazolyl-4-yl)naphthalene 以 重水 为溶剂， 生成 、
  参考文献：
  名称：

  Coexistence of molecular Pd6 triangle and Pd8 square self-assembled from naphthyl-dipyrazole with di-palladium motifs

  摘要：

  Two novel nanosized bipyrazolate-bridged metallo-macrocycles with dipalladium(II,II) corners, ([(bpy)Pd](8)L-4(NO3)8 and {1(bpy))Pd](6)L-3}(NO3)(6) [L = 1, 4-di(3',5'-dimethyl-1H-pyrazolyl-4yl)naphthalene] have been synthesized through a directed self-assembly approach that involves spontaneous deprotonation of the 1H-bipyrazolyl ligand in aqueous solution. These crown-shaped complexes with deep cavities potentially served as the host to solvent molecules and anions. Such metallo-macrocyclic structures have been characterized by single-crystal X-ray diffraction analysis, elemental analysis, H-1 and (CNMR)-C-13, high resolution electrospray ionization mass spectrometry, UV-visible spectroscopy, and luminescence spectroscopy. Crown Copyright (C) 2013 Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2013.09.012