1,2,4-三氯-7-硝基-3H-吩恶嗪-3-酮 | 13437-03-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 中文名称: 1,2,4-三氯-7-硝基-3H-吩恶嗪-3-酮
• 英文名称: 7-nitro-1,2,4-trichloro-3H-phenoxazin-3-one
• 英文别名: 1,2,4-trichloro-8-nitrophenoxazin-3-one；1,2,4-trichloro-7-nitro-phenoxazone；1,2,4-trichloro-7-nitro-phenoxazin-3-one；1,2,4-Trichlor-7-nitro-phenoxazin-3-on；1.2.4-Trichlor-7-nitro-3-oxo-3H-phenoxazin；1,2,4-trichloro-7-nitro-3H-phenoxazin-3-one；1,2,4-trichloro-7-nitrophenoxazin-3-one
• CAS: 13437-03-1
• 化学式: C₁₂H₃Cl₃N₂O₄
• 分子量: 345.526
• InChiKey: LJRBOQLUSYCVQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  84.5
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  1,2,4-三氯-7-硝基-3H-吩恶嗪-3-酮 在 sodium hydroxide 、 sodium hydrogensulfite 作用下， 生成 1,2,4-三氯-7-硝基吩恶嗪-3-醇
  参考文献：
  名称：

  Tschlenowa et al., Zhurnal Obshchei Khimii, 1958, vol. 28, p. 2977,2978, 2979; engl. Ausg. S. 3006, 3007,3008

  摘要：

  DOI：
• 作为产物：
  描述：

  四氯苯醌 、 2-氨基-5-硝基苯酚 在 乙醇 、 sodium acetate 作用下， 生成 1,2,4-三氯-7-硝基-3H-吩恶嗪-3-酮
  参考文献：
  名称：

  Condensation product of the oxazine series

  摘要：

  公开号：

  US02020651A1

文献信息

• Chemical reduction of actinomycin D and phenoxazone analog to free radicals
  作者：Hiroyuki Nakazawa、Feng-te E. Chou、Paul A. Andrews、Nicholas R. Bachur

  DOI：10.1021/jo00320a054

  日期：1981.3
• Synthesis and evaluation of halogenated nitrophenoxazinones as nitroreductase substrates for the detection of pathogenic bacteria
  作者：Alexandre F. Bedernjak、Paul W. Groundwater、Mark Gray、Arthur L. James、Sylvain Orenga、John D. Perry、Rosaleen J. Anderson

  DOI：10.1016/j.tet.2013.07.047

  日期：2013.9

  The synthesis and microbiological evaluation of 7-, 8- and 9-nitro-1,2,4-trihalogenophenoxazin-3-one substrates with potential in the detection of nitroreductase-expressing pathogenic microorganisms are described. The 7- and 9-nitrotrihalogenophenoxazinone substrates were reduced by most Gram-negative microorganisms and were inhibitory to the growth of certain Gram-positive bacteria; however, the majority of Gram-positive strains that were not inhibited by these agents, along with the two yeast strains evaluated, did not reduce the substrates. These observations suggest there are differences in the active site structures and substrate requirements of the nitroreductase enzymes from different strains; such differences may be exploited in the future for differentiation between pathogenic microorganisms. The absence of reduction of the 8-nitrotrihalogenophenoxazinone substrates is rationalized according to their electronic properties and correlates well with previous findings. Crown Copyright (C) 2013 Published by Elsevier Ltd. All rights reserved.
• DE620346
  申请人：——

  公开号：——

  公开（公告）日：——
• Dioxazine compounds and process of making same
  申请人：GEN ANILINE WORKS INC

  公开号：US02024525A1

  公开（公告）日：1935-12-17
• Casini; Ferappi; Grifantini, Farmaco, Edizione Scientifica, 1966, vol. 21, # 2, p. 861 - 869
  作者：Casini、Ferappi、Grifantini

  DOI：——

  日期：——