2,6-dinitro-4-propylphenol | 4099-64-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2,6-dinitro-4-propylphenol
• 英文别名: 3.5-dinitro-4-oxy-1-propyl-benzene；3.5-Dinitro-4-oxy-1-propyl-benzol
• CAS: 4099-64-3
• 化学式: C₉H₁₀N₂O₅
• 分子量: 226.189
• InChiKey: OWWQPVAUULFBIH-UHFFFAOYSA-N

物化性质

• 熔点：
  46 °C(Solv: ethyl ether (60-29-7))
• 沸点：
  312.9±37.0 °C(Predicted)
• 密度：
  1.406±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  2
• 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

反应信息

• 作为反应物：
  描述：

  2,6-dinitro-4-propylphenol 在 盐酸 、 tin 作用下， 生成 3.5-diamino-4-oxy-1-propyl-benzene
  参考文献：
  名称：

  Thoms; Drauzburg, Chemische Berichte, 1911, vol. 44, p. 2130

  摘要：

  DOI：
• 作为产物：
  描述：

  4-丙基苯酚 在 三甲基氯硅烷 、 copper(ll) sulfate pentahydrate 、 硝酸胍 作用下， 以 乙腈 为溶剂， 以95%的产率得到2,6-dinitro-4-propylphenol
  参考文献：
  名称：

  硝酸胍对富电子芳烃的无酸铜催化亲电硝化反应

  摘要：

  报道了一种实用的铜催化富电子芳烃与三甲基氯硅烷和硝酸胍的硝化反应。在无酸、开瓶和操作简单的条件下，在环境温度下以中等至优异的产率 (32–99%) 生成各种硝化产物。

  DOI：

  10.1021/acs.joc.1c03020

文献信息

• PREPARATION OF DINITRO-<i>n</i>-ALKYL PHENOLS
  作者：G. G. S. Dutton、T. I. Briggs、B. R. Brown、R. K. Powell

  DOI：10.1139/v53-113

  日期：1953.9.1

  The preparation of a series of dinitro-n-alkyl phenols is described. The dinitrophenols were characterized as their piperidine, morpholine, and cyclohexylamine salts. In the course of the work some new derivatives of these n-alkyl phenols and intermediate hydroxyketones were obtained.

  描述了一系列二硝基-n-烷基酚的制备。这些二硝基酚被表征为其哌啶、吗啉和环己胺盐。在工作过程中获得了一些这些n-烷基酚和中间羟基酮的新衍生物。
• 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）。
• 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.
• Thoms; Drauzburg, Chemische Berichte, 1911, vol. 44, p. 2130
  作者：Thoms、Drauzburg

  DOI：——

  日期：——
• Acid-Free Copper-Catalyzed Electrophilic Nitration of Electron-Rich Arenes with Guanidine Nitrate
  作者：Wen-Pei Li、Guo Cheng、Si-Yuan Li、Cheng-Zhou Lin、Xiao-Yu Guan、De-Xian Bing、Jing Cao、Di Zhu、Qing-Hai Deng

  DOI：10.1021/acs.joc.1c03020

  日期：2022.3.4

  A practical copper-catalyzed nitration of electron-rich arenes with trimethylsilyl chloride and guanidine nitrate is reported. A variety of nitrated products were generated in moderate to excellent yields (32–99%) at ambient temperature under acid-free, open-flask, and operationally simple conditions.

  报道了一种实用的铜催化富电子芳烃与三甲基氯硅烷和硝酸胍的硝化反应。在无酸、开瓶和操作简单的条件下，在环境温度下以中等至优异的产率 (32–99%) 生成各种硝化产物。