2,3-二甲基-6-硝基苯酚 | 6665-95-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 2,3-二甲基-6-硝基苯酚
• 中文别名: 2-硝基-5,6-二甲基苯酚
• 英文名称: 2,3-dimethyl-6-nitrophenol
• 英文别名: 5,6-dimethyl-2-nitrophenol；2,3-Dimethyl-6-nitro-phenol；4-Nitro-3-hydroxy-o-xylol；5,6-Dimethyl-2-nitro-phenol
• CAS: 6665-95-8
• 化学式: C₈H₉NO₃
• 分子量: 167.164
• InChiKey: KXWOAPZXQJGYPU-UHFFFAOYSA-N

物化性质

• 稳定性/保质期：
  存在于烟气中。

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  66
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2908999090

反应信息

• 作为反应物：
  描述：

  2,3-二甲基-6-硝基苯酚 在 氨 、 水 、 氯化铵 作用下， 生成 2,3-二甲基-6-硝基苯胺
  参考文献：
  名称：

  Nitroxylenols—Absorption Spectra and Ionization Constants¹

  摘要：

  DOI：

  10.1021/ja01161a043
• 作为产物：
  描述：

  5,6-dimethyl-6-nitrocyclohexa-2,4-dienone 生成 2,3-二甲基-6-硝基苯酚
  参考文献：
  名称：

  Formation of dienones on the reaction of cresols, xylenols, and 2-naphthol with nitrogen dioxide: Observation of keto tautomers of nitrophenols

  摘要：

  DOI：

  10.1016/s0040-4039(00)82064-x

文献信息

• 13C NMR spectra of substitutedo-nitroanisoles andn-butylo-nitrophenyl ethers
  作者：Petrus J. Zeegers、Malcolm J. Thompson

  DOI：10.1002/mrc.1260300607

  日期：1992.6

  13C NMR analyses of substituted o-nitroanisoles and n-butyl o-nitrophenyl ethers are reported.

  报告了取代的o-硝基甲苯和n-丁基o-硝基苯醚的13C NMR分析。
• BROADSPECTRUM 2-AMINO-BENZOXAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS
  申请人：SURLERAUX Dominique Louis Nestor Ghislain

  公开号：US20100029632A1

  公开（公告）日：2010-02-04

  The present invention concerns the compounds having the formula N-oxides, salts, stereoisomeric forms, racemic mixtures, prodrugs, esters and metabolites thereof, wherein R 1 and R 8 each are H, optionally substituted C 1-6 alkyl, C 2-6 alkenyl, C 3-7 cycloalkyl, aryl, Het 1 , Het 2 ; R 1 may also be a radical of formula (R 11a R 11b )NC(R 10a R 10b )CR 9 —; t is 0, 1 or 2; R 2 is H or C 1-6 alkyl; L is —C(═O)—, —O—C(═O)—, —NR 8 —C(═O)—, —O—C 1-6 alkanediyl-C(═O)—, —NR 8 —C 1-6 alkanediyl-C(═O)—, —S(═O) 2 —, —O—S(═O) 2 —, —NR 8 —S(═O) 2 ; R 3 is C 1-6 alkyl, aryl, C 3-7 cycloalkyl, C 3-7 cycloalkylC 1-4 alkyl, or arylC 1-4 alkyl; R 4 is H, C 1-4 alkylOC(═O), carboxyl, aminoC(═O), mono- or di(C 1-4 alkyl)aminoC(═O), C 3-7 cycloalkyl, C 2-6 alkenyl, C 2-6 alkynyl or optionally substituted C 1-6 alkyl; R 5 and R 6 are H or C 1-6 alkyl. It further relates to their use as broadspectrum HIV protease inhibitors, processes for their preparation as well as pharmaceutical compositions and diagnostic kits comprising them. It also concerns combinations thereof with another anti-retroviral agent, and to their use in assays as reference compounds or as reagents.

  本发明涉及具有以下公式的化合物：N-氧化物、盐、立体异构体、混合物、前药、酯及其代谢物，其中R1和R8分别为H、可选取代的C1-6烷基、C2-6烯基、C3-7环烷基、芳基、Het1、Het2；R1还可以是公式（R11aR11b）NC（R10aR10b）CR9—的基团；t为0、1或2；R2为H或C1-6烷基；L为—C（═O）—、—O—C（═O）—、—NR8—C（═O）—、—O—C1-6烷二基-C（═O）—、—NR8—C1-6烷二基-C（═O）—、—S（═O）2—、—O—S（═O）2—、—NR8—S（═O）2；R3为C1-6烷基、芳基、C3-7环烷基、C3-7环烷基C1-4烷基或芳基C1-4烷基；R4为H、C1-4烷基OC（═O）、羧基、氨基C（═O）、单烷基或二烷基氨基C（═O）、C3-7环烷基、C2-6烯基、C2-6炔基或可选取代的C1-6烷基；R5和R6为H或C1-6烷基。本发明还涉及它们作为广谱HIV蛋白酶抑制剂的用途，以及它们的制备方法、包含它们的制药组合物和诊断试剂盒。它还涉及与其他抗逆转录病毒药物的组合，以及它们作为参考化合物或试剂在检测中的使用。
• Production of olefine oxides
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0003642A2

  公开（公告）日：1979-08-22

  Olefine oxides are produced by contacting an olefine with oxygen in the presence of a silver-containing catalyst and a chlorine-containing reaction modifier; the performance of the catalyst is improved by contacting it with a nitrate or nitrite forming substance for example nitric oxide.

  烯烃氧化物是在含银催化剂和含氯反应改性剂的存在下，通过烯烃与氧气接触而产生的；催化剂的性能通过与硝酸盐或亚硝酸盐形成物质（如一氧化氮）接触而得到改善。
• Integrated effluent treatment process for nitroaromatic manufacture
  申请人：NORAM ENGINEERING & CONSTRUCTORS LTD.

  公开号：EP1132347A2

  公开（公告）日：2001-09-12

  An integrated process for treating alkaline wash water effluent from nitroaromatic manufacture, principally containing nitro-hydroxy-aromatic compounds is described. The integrated process concentrates the alkaline wash water to recover chemicals and water prior to treating the concentrate through supercritical water oxidation. The supercritical water oxidation step consists of treating the concentrate in the presence of an oxygen source at conditions, which are supercritical for water to cause a substantial portion of the organic component of the concentrate to oxidize. The product effluent includes a gaseous component and a clean water component, and in the event that insoluble ash is formed, an ash component. The new integrated process results in reduced chemical and water consumption compared to existing processes. In addition, the treated wash water effluent can be recycled to process or directly discharged.

  描述了一种处理硝基芳烃制造过程中产生的碱性洗涤水废水的综合工艺，主要含有硝基羟基芳烃化合物。在通过超临界水氧化处理浓缩物之前，该综合工艺将碱性洗涤水浓缩，以回收化学品和水。超临界水氧化步骤包括在氧源存在的条件下处理浓缩物，氧源为超临界水，使浓缩物中的大部分有机成分氧化。产品流出物包括气体成分和净水成分，如果形成不溶性灰烬，则包括灰烬成分。与现有工艺相比，新的集成工艺减少了化学品和水的消耗。此外，经过处理的清洗废水可循环用于加工或直接排放。
• Method of purifying nitrated aromatic compounds from a nitration process
  申请人：NORAM International Limited

  公开号：US10155719B2

  公开（公告）日：2018-12-18

  A process for removing impurities from crude nitrated aromatic products obtained during the nitration of aromatic compounds. The nitrated aromatic products are purified by treatment with ammonia washing followed by caustic washing. The nitrophenolic-containing wash waters are treated to recover dissolved organics and ammonia, and the stripped ammonia-wash effluent is incinerated. Carbon dioxide, which can accumulate in the process, is purged to the caustic washer.

  一种从芳香族化合物硝化过程中获得的粗硝化芳香族产品中去除杂质的工艺。先用氨水洗涤，再用苛性碱洗涤，硝化芳香族产品就得到了净化。含硝基苯酚的洗涤水经处理后可回收溶解的有机物和氨，脱氨洗涤后的废水将被焚烧。在此过程中可能会积累二氧化碳，将其排入苛性碱洗涤器。