1-甲基-1-苯基-2-(2,4,6-三硝基苯基)肼 | 66706-33-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-甲基-1-苯基-2-(2,4,6-三硝基苯基)肼
• 英文名称: N-Methyl-N-phenyl-N'-picryl-hydrazin
• 英文别名: N-methyl-N-phenyl-N'-picryl-hydrazine；2'.4'.6'-Trinitro-N-methyl-hydrazobenzol；N-Methyl-N-phenyl-N'-(2.4.6-trinitro-phenyl)-hydrazin；1-Methyl-1-phenyl-2-(2,4,6-trinitrophenyl)hydrazine
• CAS: 66706-33-0
• 化学式: C₁₃H₁₁N₅O₆
• 分子量: 333.26
• InChiKey: FVDCODSYDRTMBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 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：

  1-甲基-1-苯基-2-(2,4,6-三硝基苯基)肼 在 lead dioxide 作用下， 生成 N'-methyl-N'-phenyl-N-picryl-hydrazine
  参考文献：
  名称：

  THE CHEMISTRY OF HYDRAZYL FREE RADICALS. III. FURTHER EVIDENCE OF THE CONTRIBUTION OF α-GROUPS TOWARD THE STABILIZATION OF α,α-DISUBSTITUTED-β-PICRYLHYDRAZYL FREE RADICALS¹

  摘要：

  DOI：

  10.1021/jo01372a023
• 作为产物：
  描述：

  N-甲基-N-亚硝基苯胺 在 lithium aluminium tetrahydride 作用下， 生成 1-甲基-1-苯基-2-(2,4,6-三硝基苯基)肼
  参考文献：
  名称：

  THE CHEMISTRY OF HYDRAZYL FREE RADICALS. III. FURTHER EVIDENCE OF THE CONTRIBUTION OF α-GROUPS TOWARD THE STABILIZATION OF α,α-DISUBSTITUTED-β-PICRYLHYDRAZYL FREE RADICALS¹

  摘要：

  DOI：

  10.1021/jo01372a023

文献信息

• Giua; Cherchi, Gazzetta Chimica Italiana, 1919, vol. 49 II, p. 154
  作者：Giua、Cherchi

  DOI：——

  日期：——
• Dynamic NMR spectroscopy of three 2,2′-dialkyl/aryl-1-picrylhydrazines in liquid solution
  作者：K.C. Brown、M. El-Bermani、J.A. Weil

  DOI：10.1016/j.saa.2009.10.045

  日期：2010.1

  We have studied and compared the proton nuclear magnetic resonance spectra of a series of three 2,2'-di(alkyl/aryl)-1-(2,4,6-trinitrophenyl)hydrazines at 500 MHz in liquid toluene-d(8), with a view to learning details of the internal conformation changes taking place, as a function of temperature. Herein "alkyl" denotes 'methyl', and "aryl" denotes 'phenyl'. The synthesis and characterization of 2-phenyl,2'-methyl-1-picrylhydrazine is reported. One goal of the present study was to afford a comparison with the oxidation products, i.e.. the three corresponding hydrazyl free radicals - which show striking differences. All the hydrazine molecules in liquid Solution occur as interconverting enantiomorphic pairs (atropisomers). Advanced techniques for obtaining the relevant activation energies and pseudo-thermodynamic parameters (Arrhenius and Eyring) have been utilized, and these parameters are listed and discussed. The three hydrazines turn Out be very similar with respect to their internal dynamics. (C) 2009 Elsevier B.V. All rights reserved.
• THE CHEMISTRY OF HYDRAZYL FREE RADICALS. III. FURTHER EVIDENCE OF THE CONTRIBUTION OF α-GROUPS TOWARD THE STABILIZATION OF α,α-DISUBSTITUTED-β-PICRYLHYDRAZYL FREE RADICALS¹
  作者：R. H. POIRIER、F. BENINGTON

  DOI：10.1021/jo01372a023

  日期：1954.7