2,2-di-(4-tert-octylphenyl)picrylhydrazine | 84077-83-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,2-di-(4-tert-octylphenyl)picrylhydrazine
• 英文别名: 1-Picryl-2,2-bis(p-(1,1,3,3-tetramethylbutyl)phenyl)hydrazyl radical；1,1-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]-2-(2,4,6-trinitrophenyl)hydrazine
• CAS: 84077-83-8
• 化学式: C₃₄H₄₅N₅O₆
• 分子量: 619.761
• InChiKey: AHEOKYQLIZAXIY-UHFFFAOYSA-N

物化性质

• 沸点：
  668.0±65.0 °C(Predicted)
• 密度：
  1.186±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  12.3
• 重原子数：
  45
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  153
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2,2-di-(4-tert-octylphenyl)picrylhydrazine 在 lead dioxide 、 sodium sulfate 作用下， 以 氯仿 为溶剂， 反应 1.0h， 以74%的产率得到2,2-二(4-叔辛基苯基)-1-苦肼基,自由基
  参考文献：
  名称：

  2,2-Di-(4-tert-octylphenyl)-1-picrylhydrazyl as an alkane-soluble standard for electron paramagnetic resonance studies

  摘要：

  DOI：

  10.1016/0022-2364(82)90057-9
• 作为产物：
  描述：

  双(4-(2,4,4-三甲基-2-戊基)苯基)胺 在 盐酸 、 碳酸氢钠 、 溶剂黄146 、 锌 、 sodium nitrite 作用下， 以 乙醇 、 异丙醇 为溶剂， 反应 5.0h， 生成 2,2-di-(4-tert-octylphenyl)picrylhydrazine
  参考文献：
  名称：

  2,2-Di-(4-tert-octylphenyl)-1-picrylhydrazyl as an alkane-soluble standard for electron paramagnetic resonance studies

  摘要：

  DOI：

  10.1016/0022-2364(82)90057-9

文献信息

• Kinetic Solvent Effects on Hydrogen-Atom Abstractions:  Reliable, Quantitative Predictions via a Single Empirical Equation¹
  作者：Darren W. Snelgrove、Janusz Lusztyk、J. T. Banks、Peter Mulder、K. U. Ingold

  DOI：10.1021/ja002301e

  日期：2001.1.1

  The rate of hydrogen-atom abstraction from XH by a radical, Y-., can be solvent-dependent. In many cases, the kinetic solvent effect (KSE) is directly related to hydrogen-bonding interactions between XH and the solvent. The relative hydrogen-bond acceptor (HBA) properties of solvents are given by beta (H)(2) constants of Abraham et al. (Abraham, M. H.; Grellier, P. L.; Prior, D. V.; Morris, J. J.; Taylor, P. J. J. Chem. Soc. Perkin Trans. 2 1990, 521-529). Room-temperature rate constants for hydrogen-atom abstraction, k(XH/Y).(S), have been determined in a number of solvents, S, where XH refers to several substituted phenols, tert-butyl hydroperoxide or aniline and Y-. is a tert-alkoxyl radical. In all cases, plots of log(k(XH/Y).(S)/M-1 s(-1)) versus beta (H)(2) gave excellent linear correlations, the slopes of which, M-XH, were found to be proportional to the hydrogenbond-donating (HBD) ability of XH, as scaled with alpha (H)(2) parameters of Abraham et al. (Abraham, M. H.; Grellier, P. L.; Prior, D. V.; Duce, P. P.; Morris, J. J.; Taylor, P. J. J. Chem,. Soc., Perkin Trans. 2 1989, 699-711), with M-XH = - 8.3 alpha (H)(2). This leads to a general empirical equation which quantifies KSEs at room log temperature : k(XH/Y).(S) = log k(XH/Y).(O) - 8.3 alpha (H)(2)beta (H)(2), where k(XH/Y).(O) refers to the rate constant in a non-HBA solvent for which beta (H)(2) = 0, generally a saturated hydrocarbon. Since M-XH depends only on XH, rate constants for hydrogen-atom abstraction from XH by any Y-. can be accurately predicted in any of the several hundred known or measured. HBA solvents can have profound effects on some of the reactions and thermodynamic properties of hydroxylic substrates including: (i) reaction product profiles (ii) antioxidant activities, (iii) Hammett-type correlations, and (iv) O-H bond dissociation enthalpies. Finally, literature data (Nielsen, M. F.; Hammerich, O. Acta Chem. Scand, 1992, 46, 883-896) on KSEs for two proton-transfer reactions are shown to be correlated by the same equation which correlates KSEs for hydrogen-atom transfers.
• Cavity Induced Allosteric Modification Of Intermolecular Interactions And Methods Of Identifying Compounds That Effect The Same
  申请人：MURALI Ramachandran

  公开号：US20100151507A1

  公开（公告）日：2010-06-17

  Method of identifying compounds that modulate intermolecular interactions between a target protein and a modifier are disclosed. Pharmaceutical composition comprising compounds that inhibit intermolecular interactions between a target protein and a modifier are disclosed. Methods of treating individual suffering from inflammatory conditions, undesirable immune responses, immunological conditions and bacterial infections are disclosed.
• US8019557B2
  申请人：——

  公开号：US8019557B2

  公开（公告）日：2011-09-13
• US8785419B2
  申请人：——

  公开号：US8785419B2

  公开（公告）日：2014-07-22
• 2,2-Di-(4-tert-octylphenyl)-1-picrylhydrazyl as an alkane-soluble standard for electron paramagnetic resonance studies
  作者：M.P Dziobak、G.D Mendenhall

  DOI：10.1016/0022-2364(82)90057-9

  日期：1982.11