2-氯-1,3-二硝基-5-苯基苯 | 36321-62-7

• 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: 2-氯-1,3-二硝基-5-苯基苯
• 英文名称: 4-chloro-3,5-dinitro-biphenyl
• 英文别名: 4-Chlor-3,5-dinitro-biphenyl；4-Phenyl-2,6-dinitrochlorbenzol；4-Chloro-3,5-dinitrobiphenyl；2-chloro-1,3-dinitro-5-phenylbenzene
• CAS: 36321-62-7
• 化学式: C₁₂H₇ClN₂O₄
• 分子量: 278.652
• InChiKey: GNSRPVVOJBKRCG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  91.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-氯-1,3-二硝基-5-苯基苯 在 镍 氢气 、 三乙胺 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 生成 Diethyl N,N'-(2-chloro-5-phenyl-m-phenylene)dioxamate
  参考文献：
  名称：

  N,N'-(phenylene)dioxamic acids and their esters as antiallergy agents

  摘要：

  A series of dialkyl N,N'-(m-phenylene)dioxamates was synthesized by treatment of the requisite m-phenylenediamines with an alkyloxalyl chloride in the presence of triethylamine. Hydrolysis with sodium hydroxide solution gave the corresponding N,N'-(m-phenylene)dioxamic acids. Several N,N'-(p-phenylene)dioxamic acids were synthesized also in the same manner starting with the requisite p-phenylenediamines. These compounds were tested in the rat passive cutaneous anaphylaxis (PCA) assay. When tested iv, activity was found in the N,N'-(m-phenylene) dioxamic acids up to 2500 times that shown by disodium cromoglycate [50% inhibition at 0.001 mg/kg for N,N'-(2-chloro-5-cyano-m-phenylene)dioxamic acid (compound 61)]. Oral activity was seen in this series of compounds with duration of activity up to 120 min. Oral activity was detected in diethyl N,N'-(2-chloro-5-cyano-m-phenylene)dioxamate (compound 38) at levels of drug as low as 0.1 mg/kg.

  DOI：

  10.1021/jm00207a016
• 作为产物：
  描述：

  3,5-二硝基联苯-4-醇 在 N,N-二乙基苯胺 、 三氯氧磷 作用下， 生成 2-氯-1,3-二硝基-5-苯基苯
  参考文献：
  名称：

  Sen; Sharma, Journal of the Indian Chemical Society, 1956, vol. 33, p. 671,677

  摘要：

  DOI：

文献信息

• N,N'(Cyano-phenylene)dioxamic acids and esters
  申请人：The Upjohn Company

  公开号：US03972911A1

  公开（公告）日：1976-08-03

  It has now been discovered that novel compounds of FIG. 1 ##SPC1## are useful in the prophylactic treatment of sensitized humans and animals for allergy and all anaphylactic reactions of a reagin or non-reagin mediated nature. Additionally, these compounds are intermediates to the acids and physiologically acceptable salts which also have the same biological utility. The compounds of the invention are formulated with pharmaceutical carriers for oral, parenteral, inhalation or rectal means of administration.

  现在已经发现，图1的新化合物##SPC1##对于过敏和变应性反应的预防性治疗在敏感的人类和动物中非常有用，包括由reagin或非reagin介导的任何过敏反应。此外，这些化合物是酸和生理上可接受的盐的中间体，这些酸和盐也具有相同的生物学效用。该发明的化合物与药物载体一起制成口服、注射、吸入或直肠给药的制剂。
• Compounds, compositions and methods of use
  申请人：The Upjohn Company

  公开号：US04044148A1

  公开（公告）日：1977-08-23

  It has now been discovered that novel compounds of Formula 1 are useful in the prophylactic treatment of sensitized humans and animals for allergy and all anaphylactic reactions of a reagin or non-reagin mediated nature. Additionally, the compounds are formulated with pharmaceutical carriers for oral, parenteral, inhalation, or rectal means of administration.

  现在已经发现，公式1的新化合物在预防治疗敏感人和动物对过敏和所有抗原或非抗原介导的过敏反应中是有用的。此外，这些化合物与药物载体配制，可通过口服、注射、吸入或直肠途径进行给药。
• Miller, Australian Journal of Chemistry, 1956, vol. 9, p. 61,64
  作者：Miller

  DOI：——

  日期：——
• Activation of the Nucleophilic Displacement of Chlorine from 4-Substituted-2-nitrochlorobenzenes and 4-Substituted-2,6-dinitrochlorobenzenes by Methoxide Ion^1,2
  作者：J. F. Bunnett、Henry Moe、David Knutson

  DOI：10.1021/ja01644a021

  日期：1954.8
• Sen, Journal of the Indian Chemical Society, 1945, vol. 22, p. 183
  作者：Sen

  DOI：——

  日期：——