tetra[(μ-3-tert-butyl-5-isopropylpyrazolate)copper(I)] | 666854-64-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: tetra[(μ-3-tert-butyl-5-isopropylpyrazolate)copper(I)]
• 英文别名: [copper(I) (μ-3-tert-butyl-5-isopropyl-1-pyrazole(1-))]4；3-Tert-butyl-5-propan-2-ylpyrazol-2-ide;copper(1+)
• CAS: 666854-64-4
• 化学式: C₄₀H₆₈Cu₄N₈
• 分子量: 915.218
• InChiKey: XMPOQPAPJOYSJU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.83
• 重原子数：
  52
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  55.6
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  copper(l) chloride 、 sodium 3-(tert-butyl)-5-isopropylpyrazolide 以 丙酮 为溶剂， 以39%的产率得到tetra[(μ-3-tert-butyl-5-isopropylpyrazolate)copper(I)]
  参考文献：
  名称：

  吡唑基桥联铜(I)多核配合物的晶体结构

  摘要：

  我们制备了一系列由三种不同的烷基取代的吡唑酸阴离子桥接的铜 (I) 多核配合物。从 X 射线分析来看，这些差异反映了它们的分子结构。这些结构变化也反映了它们的红外、远红外、紫外可见和核磁共振光谱的一些特性。

  DOI：

  10.1246/cl.2004.66

文献信息

• Pyrazolate-bridged group 11 metal(I) complexes: Substituent effects on the supramolecular structures and physicochemical properties
  作者：Kiyoshi Fujisawa、Yoko Ishikawa、Yoshitaro Miyashita、Ken-ichi Okamoto

  DOI：10.1016/j.ica.2010.05.014

  日期：2010.10

  Polynuclear homoleptic pyrazolate-bridged group 11 metal(I) complexes with three different alkyl substituted pyrazolate anions, 3,5-diisopropylpyrazolate (3,5-iPr(2)pz = L1 ), 3-tert-butyl-5-isopropylpyrazolate (3-tBu-5-iPrpz = L3 ), and 3,5-di-tert-butylpyrazolate (3,5-tBu(2)pz = L4 ), i. e. [Cu(mu-3,5-iPr(2)pz)](3) (CuL1), [Ag(mu-3,5-iPr(2)pz)](3) (AgL1), [Au(mu-3,5-iPr(2)pz)](3) (AuL1), [Cu(mu-3-tBu-5-iPrpz)](4) (CuL3), [Ag(mu-3-tBu-5-iPrpz)](3) (AgL3), [Au(mu-3-tBu-5-iPrpz)](4) (AuL3), [Cu(mu-3,5-tBu(2)pz)](4) (CuL4), [Ag(mu-3,5-tBu(2)pz)](4) (AgL4), and [Cu(mu-3,5-tBu(2)pz)](4) (AuL4), were systematically synthesized in order to investigate the influence of pyrazole bulkiness on their structures and physicochemical properties. The structural characterization indicates that the geometries are greatly influenced by the steric hindrance exerted by the substituent groups of the pyrazolyl rings and the differences of the central metal (I) ionic radius (Cu+ < Au+ < Ag+). These complexes were also characterized by spectroscopic techniques, namely, UV-Vis, IR/far-IR, Raman, and luminescence spectroscopy. (C) 2010 Elsevier B. V. All rights reserved.