p-toluidine; 3,5-dinitro benzoate | 64531-37-9

• 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: p-toluidine; 3,5-dinitro benzoate
• 英文别名: p-Toluidin; 3,5-Dinitro-benzoat；4-Methylanilinium 3,5-dinitrobenzoate；3,5-dinitrobenzoate;(4-methylphenyl)azanium
• CAS: 64531-37-9
• 化学式: C₇H₄N₂O₆*C₇H₉N
• 分子量: 319.274
• InChiKey: PQRWDRBBBINQFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.78
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  155
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3,5-二硝基苯甲酸 、 乙烷,三氯氟- 以 乙醇 为溶剂， 反应 0.25h， 以77%的产率得到p-toluidine; 3,5-dinitro benzoate
  参考文献：
  名称：

  Electronic, infrared, and 1HNMR spectral studies of the novel charge-transfer complexes of o-tolidine and p-toluidine with alternation π-acceptors (3,5-dinitro benzoic acid and 2,6-dichloroquinone-4-chloroimide) in CHCl3 solvent

  摘要：

  The rapid interaction between o-tolidine and p-toluidine (pi-donors) with the p-acceptors, e.g., 3,5-dinitrobenzoic acid (DNB) and 2,6-dichloroquinone-4-chloroimide (DCQ) results in the formation of 1:1 charge-transfer complexes as the final products, [(o-tolidine) (acceptor)] and [(p-toluidine) (acceptor)]. The final products of the reactions have been isolated and characterized using FTIR, (HNMR)-H-1 spectroscopy and elemental analysis as well as photometric titration. The stoichiometry and apparent formation constants of the complexes formed were determined by applying the conventional spectrophotometric molar ratio method.(c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2005.07.076

文献信息

• Electronic, infrared, and 1HNMR spectral studies of the novel charge-transfer complexes of o-tolidine and p-toluidine with alternation π-acceptors (3,5-dinitro benzoic acid and 2,6-dichloroquinone-4-chloroimide) in CHCl3 solvent
  作者：Moamen S. Refat、Sadeek A. Sadeek、Hana M. Khater

  DOI：10.1016/j.saa.2005.07.076

  日期：2006.6

  The rapid interaction between o-tolidine and p-toluidine (pi-donors) with the p-acceptors, e.g., 3,5-dinitrobenzoic acid (DNB) and 2,6-dichloroquinone-4-chloroimide (DCQ) results in the formation of 1:1 charge-transfer complexes as the final products, [(o-tolidine) (acceptor)] and [(p-toluidine) (acceptor)]. The final products of the reactions have been isolated and characterized using FTIR, (HNMR)-H-1 spectroscopy and elemental analysis as well as photometric titration. The stoichiometry and apparent formation constants of the complexes formed were determined by applying the conventional spectrophotometric molar ratio method.(c) 2005 Elsevier B.V. All rights reserved.