4-异丙基-2,6-二硝基苯酚 | 4097-47-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 4-异丙基-2,6-二硝基苯酚
• 英文名称: 4-isopropyl-2,6-dinitrophenol
• 英文别名: 4-isopropyl-2,6-dinitro-phenol；2,6-dinitro-p-isopropylphenol；2,6-Dinitro-4-isopropylphenol；2,6-dinitro-4-propan-2-ylphenol
• CAS: 4097-47-6
• 化学式: C₉H₁₀N₂O₅
• 分子量: 226.189
• InChiKey: FVMCLNZPDUOPJC-UHFFFAOYSA-N

物化性质

• 沸点：
  367.79°C (rough estimate)
• 密度：
  1.4160 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  112
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2908999090

反应信息

• 作为产物：
  描述：

  4-异丙基苯酚 在 硝酸 、 溶剂黄146 作用下， 生成 4-异丙基-2,6-二硝基苯酚
  参考文献：
  名称：

  CHARACTERIZATION OF DINITROALKYL PHENOLS

  摘要：

  二硝基烷基酚的胺盐被建议用作除草剂和杀虫剂。检查了一些这种胺盐，以确定它们是否适合用于表征二硝基烷基酚。描述了以下新的盐：吡啶盐、吗啉盐和环己胺盐，分别是2,4-二硝基苯酚、4,6-二硝基-2-甲基苯酚、2,6-二硝基-4-甲基苯酚、4,6-二硝基-2-异丙基苯酚、2,6-二硝基-4-异丙基苯酚、4,6-二硝基-2-(叔丁基)-苯酚、2,6-二硝基-4-(叔丁基)-苯酚和2,6-二硝基-4-(叔戊基)-苯酚。此外，4,6-二硝基-2-异丙基苯酚和2,6-二硝基-4-异丙基苯酚的制备似乎以前并未描述过。建议使用这些盐，以及与其他胺类似的盐，来制备二硝基苯酚的晶体衍生物。

  DOI：

  10.1139/v53-091

文献信息

• Iodine(III)-Catalyzed Electrophilic Nitration of Phenols via Non-Brønsted Acidic NO₂⁺ Generation
  作者：Kevin A. Juárez-Ornelas、J. Oscar C. Jiménez-Halla、Terumasa Kato、César R. Solorio-Alvarado、Keiji Maruoka

  DOI：10.1021/acs.orglett.8b04141

  日期：2019.3.1

  The first catalytic procedure for the electrophilic nitration of phenols was developed using iodosylbenzene as an organocatalyst based on iodine(III) and aluminum nitrate as a nitro group source. This atom-economic protocol occurs under mild, non-Brønsted acidic and open-flask reaction conditions with a broad functional-group tolerance including several heterocycles. Density functional theory (DFT)

  使用碘基苯作为基于碘（III）和硝酸铝作为硝基基团来源的有机催化剂，开发了用于苯酚亲电硝化的第一个催化程序。该原子经济方案发生在温和的，非布朗斯台德酸性和开放式烧瓶反应条件下，具有宽泛的官能团耐受性，包括多个杂环。（SMD：MeCN）Mo8-HX /（LANLo8 + f，6-311 + G *）水平的密度泛函理论（DFT）计算表明反应通过阳离子途径进行，该途径有效地产生了NO 2 +离子，从而是中性条件下的硝化物种。
• Temperature stable liquid polymerization inhibitor
  申请人：UNIROYAL CHEMICAL COMPANY, Inc.

  公开号：EP0234671A1

  公开（公告）日：1987-09-02

  Compositions, comprised of a dinitrophenol in an aromatic hydrocarbon solvent, which compositions further comprise a sufficient amount of a phenylenediamine such that a greater amount of dinitrophenol is in solution than would be present in solution if such phenylenedia­mine were not present, exhibit unexpectedly desirable low temperature stability, and may be diluted with additional solvent to be employed as polymerization inhibitors for vinyl aromatic compounds.

  由芳香烃溶剂中的二硝基酚组成的组合物（该组合物进一步包含足量的苯二胺，从而使溶液中的二硝基酚含量高于不含苯二胺时的含量）具有出乎意料的理想低温稳定性，可以用额外的溶剂稀释，用作乙烯基芳香化合物的聚合抑制剂。
• METHOD OF INHIBITING POLYMERIZATION GIVING COPOLYMER OF DIVINYLBENZENE AND AROMATIC VINYL COMPOUND
  申请人：Hakuto Co., Ltd

  公开号：EP1813585A1

  公开（公告）日：2007-08-01

  [PROBLEMS] To provide: a method by which the generation of a copolymer of an aromatic vinyl compound and either the divinylbenzene generated in the production of the aromatic vinyl compound or the divinylbenzene which has come into the system together with a raw material for the aromatic vinyl compound is inhibited in the steps of distilling, purifying, and storing the aromatic vinyl compound: and a method of inhibiting the copolymer from depositing on and thus fouling devices and facilities. [MEANS FOR SOLVING PROBLEMS] The method of inhibiting the generation of a copolymer of divinylbenzene and an aromatic vinyl compound is characterized in that a dinitrophenol compound (A), a sulfonic acid compound (B), and a p-phenylenediamine compound (C) are simultaneously used in the steps of producing, purifying and storing the aromatic vinyl compound.

  [问题]提供：一种方法，通过该方法，在蒸馏、提纯和储存芳香族乙烯基化合物的步骤中，可抑制芳香族乙烯基化合物与芳香族乙烯基化合物生产过程中产生的二乙烯基苯或与芳香族乙烯基化合物原料一起进入系统的二乙烯基苯的共聚物的生成；以及一种方法，通过该方法，可抑制共聚物沉积在装置和设施上，从而使其结垢。 [解决问题的方法] 抑制二乙烯基苯和芳香族乙烯基化合物共聚物生成的方法，其特征在于在生产、提纯和储存芳香族乙烯基化合物的步骤中同时使用二硝基苯酚化合物（A）、磺酸化合物（B）和对苯二胺化合物（C）。
• Kirby,A.H.M. et al., Tetrahedron, Supplement, 1964, vol. 6, p. 483 - 508
  作者：Kirby,A.H.M. et al.

  DOI：——

  日期：——
• Method of Inhibiting Polymerization Giving Copolymer of Divinylbenzene and Aromatic Vinyl Compound
  申请人：Tanizaki Seiji

  公开号：US20080200616A1

  公开（公告）日：2008-08-21

  [PROBLEMS] To provide: a method by which the generation of a copolymer of an aromatic vinyl compound and either the divinylbenzene generated in the production of the aromatic vinyl compound or the divinylbenzene which has come into the system together with a raw material for the aromatic vinyl compound is inhibited in the steps of distilling, purifying, and storing the aromatic vinyl compound: and a method of inhibiting the copolymer from depositing on and thus fouling devices and facilities. [MEANS FOR SOLVING PROBLEMS] The method of inhibiting the generation of a copolymer of divinylbenzene and an aromatic vinyl compound is characterized in that a dinitrophenol compound (A), a sulfonic acid compound (B), and a p-phenylenediamine compound (C) are simultaneously used in the steps of producing, purifying and storing the aromatic vinyl compound.