Einecs 306-113-4 | 96152-42-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: Einecs 306-113-4
• 英文别名: hydrogen peroxide;phenol
• CAS: 96152-42-0
• 化学式: C6H8O3
• 分子量: 128.13
• InChiKey: KQUXHNRTCORKIG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.41
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

文献信息

• PROCESS FOR PREPARING AN ORTHO-SUBSTITUTED 5-HALOPHENOL AND A SYNTHESIS INTERMEDIATE THEREOF
  申请人：Mercier Claude

  公开号：US20130066097A1

  公开（公告）日：2013-03-14

  A process for preparing a 5-halophenol, ortho-substituted by an electron-donating group, is described. Also described, is a process for preparing a sulphonic ester of an ortho-substituted phenol, which is the synthesis intermediate for the ortho-substituted 5-halophenol. The process for preparing a phenol ortho-substituted by an electron-donating group and protected in the form of a sulphonic ester can include reacting a phenol ortho-substituted by an electron-donating group with a sulphonylating agent in the presence of a Lewis acid. The process for preparing a 5-halophenol ortho-substituted by an electron-donating group can include a first step of preparing a phenol ortho-substituted by an electron-donating group and protected in the form of a sulphonic ester, as described above; a second step of halogenating the protected phenol intermediate obtained in the preceding step, in the position para to the electron-donating group; and a third step of deprotecting the sulphonic ester function to hydroxyl.

  描述了一种制备5-卤酚的过程，其邻位取代为电子给予基团。还描述了一种制备邻位取代酚的磺酸酯的过程，该酚是邻位取代的5-卤酚的合成中间体。制备邻位取代酚的过程，该酚的邻位取代为电子给予基团，并以磺酸酯的形式保护，可以包括在Lewis酸的存在下，将邻位取代为电子给予基团的酚与磺化试剂反应。制备邻位取代为电子给予基团的5-卤酚的过程可以包括以下步骤：首先，制备如上所述的邻位取代为电子给予基团并以磺酸酯形式保护的酚；其次，在前述步骤中获得的保护酚中间体中，在电子给予基团对位进行卤代反应；最后，去除磺酸酯功能以得到羟基。
• [EN] PROCESS FOR PREPARING AN ORTHO-SUBSTITUTED 5-HALOPHENOL AND A SYNTHESIS INTERMEDIATE THEREOF<br/>[FR] PROCÉDÉ POUR LA PRÉPARATION D'UN 5-HALOGÉNOPHÉNOL ORTHO-SUBSTITUÉ ET SON INTERMÉDIAIRE DE SYNTHÈSE
  申请人：RHODIA CHINA CO LTD

  公开号：WO2011143819A1

  公开（公告）日：2011-11-24

  Disclosed a process for preparing a phenol ortho-substituted by an electron-donating group and protected in the form of a sulphonic ester which comprises reacting a phenol ortho- substituted by an electron-donating group with a sulphonylating agent in the presence of an effective amount of a Lewis acid and a process for preparing a 5-halophenol ortho- substituted which comprises a firste step of preparing a phenol ortho-substituted by an electron-donating group and protected in the form of a sulphonic ester, as described above, a second step of halogenating the protected phenol intermediate obtained in the preceding step, in the position para to the electron-donating group, and a third step of deprotecting the sulphonic ester function to hydroxyl

  揭示了一种制备含电子给体基团的酚邻位取代的过程，并以磺酸酯形式保护，包括在有效量的Lewis酸存在下，将含电子给体基团的酚邻位取代物与磺化试剂反应的过程，以及一种制备5-卤代酚邻位取代的过程，包括第一步制备如上所述的含电子给体基团的酚邻位取代物并以磺酸酯形式保护，第二步在前一步得到的受保护酚中间体上对位于电子给体基团的位置进行卤代反应，第三步去除磺酸酯功能以得到羟基。
• METHOD FOR THE HYDROXYLATION OF PHENOL
  申请人：Garel Laurent

  公开号：US20110152579A1

  公开（公告）日：2011-06-23

  The subject of the present invention is a method for the hydroxylation of phenol by hydrogen peroxide. The method of the invention for the hydroxylation of phenol to pyrocatechol and hydroquinone in a pyrocatechol/hydroquinone ratio between 1.7 and 2.3, by reaction of the phenol with hydrogen peroxide, in the presence of a catalyst, is characterized by the fact that the reaction is carried out in the presence of an effective amount of a hydroxyaromatic sulfonic acid.

  本发明的主题是一种利用过氧化氢对酚进行羟基化的方法。本发明的方法通过将酚与过氧化氢在催化剂的存在下反应，以在1.7至2.3的间隔内将酚羟基化为间苯二酚和对苯二酚，其特点在于反应在有效量的羟基芳香磺酸的存在下进行。
• Method for hydroxylating phenols and phenol ethers
  申请人：Garel Laurent

  公开号：US20140073818A1

  公开（公告）日：2014-03-13

  A method for hydroxylating phenols and phenol ethers using hydrogen peroxide and specifically, a method for hydroxylating phenol using hydrogen peroxide. The method for hydroxylating a phenolic substrate selected from a phenol or a phenol ether by reacting such phenolic substrate with hydrogen peroxide in the presence of an acid catalyst comprises the following steps, implemented consecutively or simultaneously: a first step consisting of mixing a phenolic substrate with a hydrogen peroxide solution under conditions in which the temperature is sufficient for the initial phenolic substrate to remain liquid and for minimizing the conversion rate of the hydrogen peroxide; a second step consisting of carrying out the phenolic substrate hydroxylation reaction under adiabatic conditions, the acid catalyst being added at the mixing stage and/or at the beginning of the hydroxylation reaction; and a third step, if necessary, consisting of recovering the hydroxylated product.

  使用过氧化氢进行酚和酚醚的羟基化的方法，特别是使用过氧化氢进行酚的羟基化的方法。通过在酸催化剂存在下，将酚或酚醚等酚类底物与过氧化氢反应进行羟基化反应的方法包括以下步骤，这些步骤可以依次或同时实施：第一步是在温度足以使初始酚类底物保持液态并最小化过氧化氢的转化率的条件下，将酚类底物与过氧化氢溶液混合；第二步是在绝热条件下进行酚类底物羟基化反应，酸催化剂在混合阶段和/或羟基化反应开始时加入；第三步，必要时，是回收羟基化产物。
• METHOD FOR THE HYDROXYLATION OF PHENOLS AND PHENOL ETHERS
  申请人：Garel Laurent

  公开号：US20140221698A1

  公开（公告）日：2014-08-07

  The present invention relates to a method for the hydroxylation of phenols and phenol ethers by means of hydrogen peroxide. The invention specifically relates to a method for the hydroxylation of phenol by means of the hydrogen peroxide. The method of the invention for the hydroxylation of a phenol ether by means of reacting said phenol or phenol ether with the hydrogen peroxide in the presence of an acid catalyst is characterized in that it includes mixing a phenol or phenol ether with a hydrogen peroxide solution in a mixing device under conditions enabling the conversion rate of the hydrogen peroxide to be minimized, and in that said reaction mixture is then placed in a piston flow reactor where the reaction leading to the production of the hydroxylated material takes place, the acid catalyst being fed into the mixing device and/or into the piston flow reactor.

  本发明涉及一种使用过氧化氢对苯酚和苯酚醚进行羟基化的方法。本发明具体涉及一种使用过氧化氢对苯酚进行羟基化的方法。本发明针对一种苯酚醚的羟基化方法，通过在酸性催化剂存在下，将所述苯酚或苯酚醚与过氧化氢反应，其特征在于将苯酚或苯酚醚与过氧化氢溶液在混合装置中混合，以使过氧化氢的转化率最小化，并且将该反应混合物放置在活塞流反应器中进行，产生羟基化物质的反应，酸性催化剂被加入到混合装置和/或活塞流反应器中。