3-甲基-5-硝基苯-1,2-二醇 | 5378-76-7

• 物质功能分类: 医药中间体 - 原料药中间体
• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 3-甲基-5-硝基苯-1,2-二醇
• 中文别名: 3-甲基-5-硝基-1,2-苯二酚
• 英文名称: 3-methyl-5-nitro-pyrocatechol
• 英文别名: 3-Methyl-5-nitro-brenzcatechin；3-Methyl-5-nitrocatechol；3-methyl-5-nitrobenzene-1,2-diol
• CAS: 5378-76-7
• 化学式: C₇H₇NO₄
• 分子量: 169.137
• InChiKey: VZDSEMYVKHLPLX-UHFFFAOYSA-N

物化性质

• 熔点：
  138 °C
• 沸点：
  364.9±42.0 °C(Predicted)
• 密度：
  1.478±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  86.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-甲基-5-硝基苯-1,2-二醇 在 盐酸 、 tin(ll) chloride 作用下， 生成 5-amino-3-methyl-pyrocatechol; hydrochloride
  参考文献：
  名称：

  关于血红素成分的结构的实验

  摘要：

  DOI：

  10.1039/jr9550002619
• 作为产物：
  描述：

  二硝酚 在 nitrophenol oxygenase 作用下， 以 phosphate buffer 为溶剂， 生成 3-甲基-5-硝基苯-1,2-二醇
  参考文献：
  名称：

  Comparison of substituted 2-nitrophenol degradation by enzyme extracts and intact cells

  摘要：

  The first catabolic pathway enzyme, nitrophenol oxygenase, transforms o-nitrophenol (ONP) to catechol. Thirteen of 16 substituted nitrophenols tested were actively transformed by both enzyme preparations and intact cells yielding a wide range of K(m) (K(s)) and V(max). Individual chemicals in binary mixtures demonstrated competitive inhibition. Chemical and physical characteristics (electron withdrawal, size, and position of substitution on the 2-nitrophenol ring) affected degradation kinetics. The strongest correlations were between K(m) or V(max) values and electron withdrawal, though there was also evidence for effects relating to position and size of substitution on the aromatic ring. Kinetic parameters determined for enzyme preparations did not correlate to those determined for intact cells. Though enzyme reactivity ultimately determined whether a given chemical would be transformed, the transformation by intact cells was apparently affected by factors other than those directly impacting the initial catabolic enzyme.

  DOI：

  10.1021/es00051a018

文献信息

• MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME
  申请人：TABATA Masayoshi

  公开号：US20110224343A1

  公开（公告）日：2011-09-15

  The present invention provides a modifier for aromatic polyesters which enhances the melt fluidity of aromatic polyesters without a significant decrease in the heat resistance of the aromatic polyesters, and an aromatic polyester resin composition including the modifier for aromatic polyesters. The present invention relates to a modifier for aromatic polyesters comprising polyhydric phenol residues and residues of aromatic polycarboxylic acid, acid halide or acid anhydride thereof, and the modifier comprises a material having a structure composed of a first residue selected from the group consisting of divalent residues represented by Formula (I): —Ar—W 1 x —Ar— and by Formula (II): —Ar—, the first residues being bonded to two identical or different second residues selected from the group consisting of monovalent residues represented by Formula (III): and monovalent residues represented by Formula (IV): —O—C(O)—R 7 —.

  本发明提供了一种用于芳香族聚酯的改性剂，可以增强芳香族聚酯的熔融流动性，而不明显降低芳香族聚酯的耐热性，以及包括该改性剂的芳香族聚酯树脂组合物。本发明涉及一种用于芳香族聚酯的改性剂，包括多羟基酚残基和芳香族多羧酸、酸卤或其酸酐残基，该改性剂包括具有以下结构的材料：第一残基，选择自由式(I)所代表的二价残基：—Ar—W1x—Ar—和自由式(II)所代表的：—Ar—，第一残基与选择自由式(III)所代表的单价残基：和自由式(IV)所代表的单价残基：—O—C(O)—R7—的两个相同或不同的第二残基结合。
• Development of a liquid chromatographic method based on ultraviolet-visible and electrospray ionization mass spectrometric detection for the identification of nitrocatechols and related tracers in biomass burning atmospheric organic aerosol
  作者：Zoran Kitanovski、Irena Grgić、Farhat Yasmeen、Magda Claeys、Alen Čusak

  DOI：10.1002/rcm.6170

  日期：2012.4.15

  composition of biomass burning aerosol (BBA) is very important in order to assess their impact on the climate and the biosphere. In the present study, we focus on the characterization of some newly recognized biomass burning aerosol tracers including methyl nitrocatechols, nitroguaiacols and 4‐nitrocatechol, but also on nitrophenols, methyl nitrophenols and nitrosalicylic acids, using liquid chromatography

  为了评估生物质燃烧气溶胶对气候和生物圈的影响，研究其化学组成非常重要。在本研究中，我们专注于使用液相色谱串联质谱法对一些新近认可的燃烧生物质的气溶胶示踪剂进行表征，包括甲基硝基邻苯二酚，硝基愈创木酚和4-硝基邻苯二酚，而且还对硝基酚，甲基硝基酚和亚硝基水杨酸进行表征。
• AROMATIC POLYESTER
  申请人：Muroran Institute of Technology

  公开号：EP2479203A1

  公开（公告）日：2012-07-25

  The present invention provides an aromatic polyester which is substantially free from the occurrence of coloration and retains significantly high transparency even after being thermally processed at high temperature and which has high flowability. The aromatic polyester contains a polyhydric phenol residue and a residue of any one of aromatic polycarboxylic acid, halide thereof, and anhydride thereof, and terminals of the aromatic polyester have a structure represented by the formula -C(O)-R. The aromatic polyester has an end-capping rate of 90% or higher and a weight average molecular weight (Mw) ranging from 3,000 to 1,000,000.

  本发明提供了一种芳香族聚酯，该聚酯基本上不会发生着色，即使在高温热加工后仍能保持明显的高透明度，并且具有高流动性。芳香族聚酯含有多羟基苯酚残留物和芳香族多羧酸、其卤化物和其酸酐中任意一种的残留物，芳香族聚酯的端基具有式 -C(O)-R 所代表的结构。芳香族聚酯的端盖率为 90% 或更高，重量平均分子量（Mw）为 3,000 至 1,000,000 之间。
• IMIDAXOPYROLONE COMPOUND AND APPLICATION THEREOF
  申请人：Luoxin Pharmaceutical (Shanghai) Co., Ltd.

  公开号：EP3766883B1

  公开（公告）日：2022-09-28
• Nitrocatechols versus nitrocatecholamines as novel competitive inhibitors of neuronal nitric oxide synthase: lack of the aminoethyl side chain determines loss of tetrahydrobiopterin-antagonizing properties
  作者：Anna Palumbo、Alessandra Napolitano、Marco d'Ischia

  DOI：10.1016/s0960-894x(01)00680-1

  日期：2002.1

  6-Nitrocatecholamines were recently described as novel neuronal nitric oxide synthase inhibitors competing with both L-arginine and tetrahydrobiopterin (BH4). We report now that simple nitrocatechols are also competitive inhibitors, lacking however BH4-antagonizing properties. It is argued that 6-nitrocatecholamines interact with the L-arginine- and BH4-binding sites through the nitrocatechol and aminoethyl moieties, respectively. (C) 2001 Elsevier Science Ltd. All rights reserved.