4-氯-3,5-二甲基-2-硝基苯酚 | 54582-90-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 4-氯-3,5-二甲基-2-硝基苯酚
• 中文别名: 4-氯-3,5-二甲基-2-硝基酚
• 英文名称: 4-chloro-3,5-dimethyl-2-nitrophenol
• 英文别名: 4-chloro-3,5-dimethyl-2-nitro-phenol；2-Chlor-4-nitro-5-hydroxy-m-xylol；4-Chlor-3,5-dimethyl-2-nitro-phenol；4-Chlor-2-nitro-symm.-m-xylenol；3,5-Dimethyl-4-chlor-2-nitro-phenol
• CAS: 54582-90-0
• 化学式: C₈H₈ClNO₃
• mdl: MFCD05811317
• 分子量: 201.609
• InChiKey: YOTFJCRTPIJJFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  13
• 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

反应信息

• 作为反应物：
  描述：

  4-氯-3,5-二甲基-2-硝基苯酚 在 氢气 、 镍 作用下， 生成 2-amino-4-chloro-3,5-dimethylphenol
  参考文献：
  名称：

  Ried,W.; Dietrich,R., Justus Liebigs Annalen der Chemie, 1961, vol. 639, p. 32 - 56

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氯-3,5-二甲基苯酚 在 硝酸 、 溶剂黄146 作用下， 反应 1.0h， 以93.2%的产率得到4-氯-3,5-二甲基-2-硝基苯酚
  参考文献：
  名称：

  [EN] KYNURENINE 3-MONOOXYGENASE (KMO) INHIBITORS, AND USES AND COMPOSITIONS THEREOF
  [FR] INHIBITEURS DE LA KYNURÉNINE 3-MONOOXYGÉNASE (KMO), ET UTILISATIONS ET COMPOSITIONS ASSOCIÉES

  摘要：

  提供了具有以下结构式（I）或其药用盐的化合物，其中：L、X、R1、R2和n的含义如描述中所提供的，这些化合物在治疗神经退行性和神经炎症性疾病方面是有用的。

  公开号：

  WO2019102186A1

文献信息

• Hair dyeing compositions comprising 2-(amino or substituted amino)-3-5-substituted phenol compounds and use thereof
  申请人：Bolton David Philip

  公开号：US20060032002A1

  公开（公告）日：2006-02-16

  The present invention relates to compositions for the oxidative dyeing of keratin fibres, comprising a medium suitable for dyeing and a compound 2-(amino or substituted amino)-3,5-substituted phenol compounds according to the Formula (I), as defined herein.

  本发明涉及用于氧化染毛角蛋白纤维的组合物，包括适用于染色的介质和根据此处定义的公式（I）的化合物2-（氨基或取代氨基）-3,5-取代酚化合物。
• Hair dyeing compositions comprising 2-(Amino or substituted Amino)-3-5-substituted phenol compounds and use thereof
  申请人：The Procter and Gamble Company

  公开号：EP1634572A1

  公开（公告）日：2006-03-15

  The present invention relates to compositions for the oxidative dyeing of keratin fibres, comprising a medium suitable for dyeing and a compound 2-(amino or substituted amino)-3, 5-substituted phenol compounds according to the Formula (I), as defined herein.

  本发明涉及用于角蛋白纤维氧化染色的组合物，该组合物包含一种适于染色的介质和一种根据式（I）定义的 2-（氨基或取代氨基）-3，5-取代酚化合物。
• Improved Protocol for Mononitration of Phenols with Bismuth(III) and Iron(III) Nitrates
  作者：Małgorzata Wąsińska、Anna Korczewska、Mirosław Giurg、Jacek Skarżewski

  DOI：10.1080/00397911.2014.954730

  日期：2015.1.2

  A simple and efficient multigram procedure was developed for the selective mononitration of various activated phenols. The reaction proceeded smoothly with 0.5 equivalents of Bi(NO3)(3)5H(2)O or Fe(NO3)(3)9H(2)O in acetone at ambient temperature or at reflux. The desired products were isolated in 62-93% total yield and essentially no overnitrated compounds were detected.
• [EN] ONE POT PROCESS FOR THE CONVERSION OF AROYL CHLORIDES TO ACYL THIOUREAS<br/>[FR] PROCÉDÉ MONOTOPE POUR LA CONVERSION DE CHLORURES D'AROYLE EN ACYL THIO-URÉES
  申请人：COUNCIL SCIENT IND RES

  公开号：WO2014087431A8

  公开（公告）日：2014-07-31
• Synthesis of New BAPTA Calcium Chelators
  作者：Huai Zhen He、Lei Lei、Jian Li Li、Zhen Shi

  DOI：10.1080/00397910802633421

  日期：2009.5.22

  A series of new 1,2-bis-(2-aminophenoxyethane) N,N,N',N'-tetraacetic acid (BAPTA) chelators were designed and synthesized to form novel and improved fluorescent indicators. Substituted 2-nitrophenol, acting as the material, reacted in five steps to give BAPTA-derived chelators. The Ca2+ affinity of BAPTA chelators could increase significantly by addition of electron-donating groups and decrease by electron-withdrawing groups. Compounds 3a-e were treated with iron powder instead of hydrogenation, obtaining a satisfying yield. The structures of all compounds were characterized by infrared, 1H NMR, and matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) spectra.