tris(3-tert-butyl-5-methyl-1-pyrazolyl)methane | 172479-24-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: tris(3-tert-butyl-5-methyl-1-pyrazolyl)methane
• 英文别名: 1-[Bis(3-tert-butyl-5-methylpyrazol-1-yl)methyl]-3-tert-butyl-5-methylpyrazole
• CAS: 172479-24-2
• 化学式: C₂₅H₄₀N₆
• 分子量: 424.633
• InChiKey: FTIWGAOXPBNURA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  53.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tris(3-tert-butyl-5-methyl-1-pyrazolyl)methane 、 zinc dibromide 以 甲醇 为溶剂， 以1%的产率得到3-tert-butyl-5-methyl-1H-pyrazole;dibromozinc
  参考文献：
  名称：

  Titze, Christoph; Hermann, Joerg; Vahrenkamp, Heinrich, Chemische Berichte, 1995, vol. 128, # 11, p. 1095 - 1104

  摘要：

  DOI：
• 作为产物：
  描述：

  氯仿 、 3-叔丁基-5-甲基-1H-吡唑 在 alkyl(C₈-C₁₈)benzyldimethylammonium chlorides sodium hydroxide 作用下， 以 苯 为溶剂， 反应 2.0h， 以7%的产率得到tris(3-tert-butyl-5-methyl-1-pyrazolyl)methane
  参考文献：
  名称：

  Titze, Christoph; Hermann, Joerg; Vahrenkamp, Heinrich, Chemische Berichte, 1995, vol. 128, # 11, p. 1095 - 1104

  摘要：

  DOI：

文献信息

• Copper(II) nitrato and chloro complexes with sterically hindered tridentate ligands: Influence of ligand framework and charge on their structure and physicochemical properties
  作者：Kiyoshi Fujisawa、Hiroaki Iwamoto、Kengo Tobita、Yoshitaro Miyashita、Ken-ichi Okamoto

  DOI：10.1016/j.ica.2009.05.016

  日期：2009.9

  Copper(II) coordination complexes of the neutral ligand, tris(3-tert-butyl-5-methyl-1-pyrazolyl) methane (L2'), i.e. the copper(II) nitrato complexes [Cu(L2')(NO3)][Cu(NO3)4](1/2) (1) and [Cu(L2')(NO3)](ClO4) (2) and the copper(II) chloro complex [Cu(L2')(Cl)](ClO4) (3), and its anionic borate analogue, hydrotris(3-tert- butyl-5-methyl-1-pyrazolyl) borate (L2), i. e. the copper(II) nitrato complex [Cu(L2)(NO3)] (4) and the copper(II) chloro complex [Cu(L2)(Cl)] (5), were synthesized in order to investigate the influence of ligand framework and charge on their structure and physicochemical properties. While X-ray crystallography did not show any definitive trends in terms of copper(II) atom geometry in four-coordinate copper(II) chloro complexes 3 and 5, different structural trends were observed in five-coordinate copper(II) nitrato complexes 1, 2, and 4. These complexes were also characterized by spectroscopic techniques, namely, UV-Vis, ESR, IR/far-IR, and X-ray absorption spectroscopy. (C) 2009 Elsevier B. V. All rights reserved.