N,N-Diethyl-p-benzochinondiimin | 29812-35-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N-Diethyl-p-benzochinondiimin
• 英文别名: N,N-Diethylchinon-(1,4)-diimin；N,N-Diethyl-4-iminocyclohexa-2,5-dien-1-iminium；diethyl-(4-iminocyclohexa-2,5-dien-1-ylidene)azanium
• CAS: 29812-35-9
• 化学式: C₁₀H₁₅N₂
• 分子量: 163.242
• InChiKey: JUDOACQYKSPSPE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  26.9
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N,N-Diethyl-p-benzochinondiimin 在 水 作用下， 以 aq. phosphate buffer 为溶剂， 生成 对苯醌
  参考文献：
  名称：

  一些二胺衍生物的热力学和电化学氧化：实验和理论研究

  摘要：

  Electrochemical oxidation of some diamine derivatives (1H(+)-411(+)) has been investigated both experimentally and theoretically. Experimental results were obtained using cyclic voltammetry and controlled potential coulometry and the theoretical results were calculated at DFT (B3LYP and BP86) levels of theory and 6-311+G (p,d) basis set. The calculated result indicates that oxidation potential of 1H(+)-4H(+) is directly dependent on the Delta G(tot) and species with more positive oxidation potential (E-pA1) have larger Delta G(tot), values. Also in this paper electrochemical oxidations of N,N-diethyl-p-phenylenediamine (3) were studied in the absence and in the presence of some nucleophiles. Mechanistic study of the electrochemical oxidation of 3 indicates that its electrochemical oxidation proceed in the thermodynamically favored direction. (C) 2015 The Electrochemical Society. All rights reserved.

  DOI：

  10.1149/2.0351512jes
• 作为产物：
  描述：

  N,N-二乙基对苯二胺 生成 N,N-Diethyl-p-benzochinondiimin
  参考文献：
  名称：

  N-取代的醌单亚胺和二亚胺的脱氨活化参数及机理

  摘要：

  使用紫外光谱，通过停止流方法在278至323 K之间的温度，pH在1至9的pH范围内，通过水溶液测量了六个N-取代的醌单亚胺的脱氨速率。观测到的速率常数由k = k '[H 2 O] + k ” [OH – ]给出；ķ '和ķ “由12个数量级不同。k ′和k ′的激活焓几乎相等。活化的熵是强负对ķ '和强阳性ķ “。酸和碱脱氨的活化参数还测量了N-取代的醌二亚胺。关于活化熵，发现与醌单亚胺相似的结果。对于所有脱氨基，提出了具有预先溶剂化平衡的通用机理。

  DOI：

  10.1039/p29800001601

文献信息

• Nickel, Ulrich; Jaenicke, Walther, Berichte der Bunsen-Gesellschaft, 1982, vol. 86, # 8, p. 695 - 701
  作者：Nickel, Ulrich、Jaenicke, Walther

  DOI：——

  日期：——
• Fanghaenel, E.; Akhlaq, M. S.; Grossmann, N., Journal fur praktische Chemie (Leipzig 1954), 1986, vol. 328, # 2, p. 275 - 283
  作者：Fanghaenel, E.、Akhlaq, M. S.、Grossmann, N.、Willscher, U.

  DOI：——

  日期：——
• Mechanism and Kinetics of the Photocatalyzed Oxidation of p-Phenylenediamines by Peroxydisulfate in the Presence of Tri-2,2'-bipyridylylruthenium(II)
  作者：Ulrich Nickel、Yao-Hong Chen、Siegfried Schneider、Maria I. Silva、Hugh D. Burrows、Sebastiao J. Formosinho

  DOI：10.1021/j100062a026

  日期：1994.3

  The autocatalytic oxidation of p-phenylenediamines with peroxydisulfate can be strongly enhanced by irradiation in the presence of tri-2,2'-bipyridylylruthenium(II). Ru(bpy)3(2+) acts as photosensitizer and photocatalyst. First, Ru(bpy)33+ is formed by quenching excited Ru*(bpy)3(2+) with S2O8(2-). Then the ruthenium(III) complex oxidizes p-phenylenediamine. The resulting Ru(bpy)3(2+) can start the cycle again. The photocatalytic oxidation of N,N-diethyl-p-phenylenediamine as well as the dark reactions were studied with stopped-flow techniques. The mechanism of this complex reaction is discussed in detail.
• Nickel, U.; Ruehl, N.; Zhou, B. M., Zeitschrift fur physikalische Chemie (Neue Folge), 1986, vol. 148, p. 33 - 52
  作者：Nickel, U.、Ruehl, N.、Zhou, B. M.

  DOI：——

  日期：——
• CHLORINE ANALYTICAL TEST ELEMENT AND A STABILIZED N, N-DIETHYL-P-PHENYLENEDIAMINE SOLUTION
  申请人：HACH COMPANY

  公开号：US20150050195A1

  公开（公告）日：2015-02-19

  A test element ( 10 ) used to determine concentration levels of free and total chlorine in a water sample comprises a test pad ( 12 ) adhered to a substrate ( 14 ), wherein the test pad ( 12 ) is impregnated with a stabilized DPD solution. The test pad ( 12 ) is color responsive to different concentration levels of chlorine in the water and compared to a color chart to determine the level of free chlorine and/or total chlorine in the water. The stabilized DPD solution may include N,N-diethyl-p-phenylenediamine oxalate salt, a polymeric anhydride such as a methyl-vinyl anhydride and an organo-sulfate such as dimethyisulfone.