1,4-bis-benzoyloxy-2,3,5-trimethyl-benzene | 7479-30-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 1,4-bis-benzoyloxy-2,3,5-trimethyl-benzene
• 英文别名: 1,4-Bis-benzoyloxy-2,3,5-trimethyl-benzol；(4-Benzoyloxy-2,3,5-trimethylphenyl) benzoate
• CAS: 7479-30-3
• 化学式: C₂₃H₂₀O₄
• 分子量: 360.409
• InChiKey: WQYMVLAZGLEXEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  三甲基氢醌 、 苯甲酰氯 在 sodium hydroxide 作用下， 生成 1,4-bis-benzoyloxy-2,3,5-trimethyl-benzene
  参考文献：
  名称：

  The Reaction between Duroquinone and Sodium Malonic Esters. II. The Synthesis and Reactions of 2,5-Dimethoxy-3,4,6-trimethylbenzaldehyde

  摘要：

  DOI：

  10.1021/ja01317a062

文献信息

• HYDROQUINONE DIESTER DERIVATIVES AND THE METHOD FOR PRODUCING THE SAME
  申请人：——

  公开号：US20020007082A1

  公开（公告）日：2002-01-17

  A highly pure hydroquinone dietser derivative can be produced from the reaction product of ketoisophorone with an acylating agent in a high yield by a simple and easy operation. In the presence of an acid catalyst, a cyclohex-2-ene-1,4-dione derivative shown by the following formula (3) was allowed to react with an acylating agent (e.g., acetic anhydride), and the reaction product was purified by crystallization to obtain a hydroquinone diester derivative shown by the following formula (1). The compound (1) contains about 0 to 4% by weight of a catechol diester derivative represented by the following formula (2), being highly pure. As a solvent for crystallization, a mixed solvent of an organic carboxylic acid (e.g., acetic acid) corresponding to the acylating agent and water may be used. 1 In the formulae, R 1 and R 2 each represents an alkyl group, a cycloalkyl group, an aryl group or a heterocyclic group.

  可以从ketoisophorone和酰化剂的反应产物中以高产率简单易操作的方式生产高纯度的羟基喹啉醚衍生物。在酸催化剂的存在下，通过以下公式（3）所示的环己-2-烯-1,4-二酮衍生物与酰化剂（例如醋酸酐）发生反应，反应产物经结晶纯化即可获得以下公式（1）所示的羟基喹啉醚衍生物。化合物（1）含有约0至4%重量的由以下公式（2）表示的间苯二酚酯衍生物，具有高纯度。作为结晶溶剂，可以使用与酰化剂对应的有机羧酸（例如醋酸）和水的混合溶剂。在上述公式中，R1和R2分别表示烷基、环烷基、芳基或杂环基。
• Hydroquinone diester derivatives and the method for producing the same
  申请人：Daicel Chemical Industries, Ltd.

  公开号：EP0916642A1

  公开（公告）日：1999-05-19

  A highly pure hydroquinone dietser derivative can be produced from the reaction product of ketoisophorone with an acylating agent in a high yield by a simple and easy operation. In the presence of an acid catalyst, a cyclohex-2-ene-1,4-dione derivative shown by the following formula (3) was allowed to react with an acylating agent (e.g., acetic anhydride), and the reaction product was purified by crystallization to obtain a hydroquinone diester derivative shown by the following formula (1). The compound (1) contains about 0 to 4% by weight of a catechol diester derivative represented by the following formula (2), being highly pure. As a solvent for crystallization, a mixed solvent of an organic carboxylic acid (e.g., acetic acid) corresponding to the acylating agent and water may be used. In the formulae, R1 and R2 each represents an alkyl group, a cycloalkyl group, an aryl group or a heterocyclic group.

  通过简单易行的操作，可从酮基异佛尔酮与酰化剂的反应产物中高产制得高纯度对苯二酚衍生物。在酸催化剂存在下，下式（3）所示的环己-2-烯-1,4-二酮衍生物与酰化剂（如乙酸酐）反应，反应产物经结晶纯化，得到下式（1）所示的对苯二酚二酯衍生物。化合物（1）含有约 0% 至 4% （按重量计）下式（2）所示的邻苯二酚二酯衍生物，纯度很高。作为结晶溶剂，可使用与酰化剂相应的有机羧酸（如乙酸）和水的混合溶剂。 式中，R1 和 R2 分别代表烷基、环烷基、芳基或杂环基。
• Method for producing hydroquinone diester derivatives
  申请人：Daicel Chemical Industries, Ltd.

  公开号：EP0916642B1

  公开（公告）日：2003-05-21
• A method for producing trimethylhydroquinone diester
  申请人：DAICEL CHEMICAL INDUSTRIES, LTD.

  公开号：EP0850910B1

  公开（公告）日：2001-11-21
• US5908956A
  申请人：——

  公开号：US5908956A

  公开（公告）日：1999-06-01