2-(tert-butoxy)cyclohexan-1-one | 99978-57-1

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机氧化物
• 英文名称: 2-(tert-butoxy)cyclohexan-1-one
• 英文别名: 2-tert-butylperoxy-cyclohexanone；2-tert-Butylperoxy-cyclohexanon；2-Tert-butylperoxycyclohexan-1-one
• CAS: 99978-57-1
• 化学式: C₁₀H₁₈O₃
• 分子量: 186.251
• InChiKey: UADCSAMCEHXQPQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  叔丁基过氧化氢 、 环己酮 在 copper(I) chloride 作用下， 生成 2-(tert-butoxy)cyclohexan-1-one
  参考文献：
  名称：

  Metal Salt-Induced Homolytic Reactions. I. A New Method of Introducing Peroxy Groups into Organic Molecules^1,2

  摘要：

  DOI：

  10.1021/jo01083a022

文献信息

• Acid‐Mediated Formation of Radicals or Baeyer–Villiger Oxidation from Criegee Adducts
  作者：Bertrand Schweitzer‐Chaput、Theo Kurtén、Martin Klussmann

  DOI：10.1002/anie.201505648

  日期：2015.9.28

  The acid‐mediated reaction of ketones with hydroperoxides generates radicals, a process with reaction conditions similar to those of the Baeyer–Villiger oxidation but with an outcome resembling the formation of hydroxyl radicals via ozonolysis in the atmosphere. The Baeyer–Villiger oxidation forms esters from ketones, with the preferred use of peracids. In contrast, alkyl hydroperoxides and hydrogen

  酮与氢过氧化物的酸介导反应会产生自由基，该过程的反应条件与Baeyer-Villiger氧化反应的条件相似，但其结果类似于在大气中通过臭氧分解形成羟基自由基。Baeyer-Villiger氧化法可从酮中形成酯，优选使用过酸。相反，烷基氢过氧化物和过氧化氢与酮通过缩合反应形成过氧化烯基，迅速经历均相O lyticO键裂解形成自由基。据信这两个反应都是通过Criegee加合物进行的，但是过氧化物残基的电子性质决定了随后的反应途径。DFT计算和实验结果支持这样的观点，即不同于先前的假设，Baeyer-Villiger反应对于烷基氢过氧化物和过氧化氢并不是固有的困难，而是替代性自由基的形成越来越受到青睐。
• WATER-BASED COATING COMPOSITION AND METHOD FOR FORMING MULTILAYER COATING FILM USING SAID COMPOSITION
  申请人：BASF Coatings GmbH

  公开号：EP2748215A1

  公开（公告）日：2014-07-02
• A LIQUID (METH) ACRYLIC SYRUP ITS METHOD OF POLYMERIZATION, USE AND MOLDED ARTICLE OBTAINED THEREOF
  申请人：Arkema France

  公开号：EP2989132A1

  公开（公告）日：2016-03-02
• [EN] WATER-BASED COATING COMPOSITION AND METHOD FOR FORMING MULTILAYER COATING FILM USING SAID COMPOSITION<br/>[FR] COMPOSITION DE REVÊTEMENT À BASE D'EAU ET PROCÉDÉ POUR FORMER UN FILM DE REVÊTEMENT MULTICOUCHES UTILISANT LADITE COMPOSITION
  申请人：BASF COATINGS JAPAN LTD

  公开号：WO2013027093A1

  公开（公告）日：2013-02-28

  To provide a water-based coating composition capable of obtaining a coating film having excellent appearance and adhesion to an object to be coated without carrying out preliminary heating following the formation of a first base coating film in a method for forming a multilayer coating film by a 3C1B method. A water-based coating composition containing, as a base resin, a core/shell type emulsion resin comprising an acrylic resin as the core portion and a polyurethane resin as the shell portion, wherein the mass ratio of the core portion and the shell portion in the aforementioned core/shell type emulsion resin is between 20/80 and 80/20, the aforementioned acrylic resin has a hydroxyl group value of 40 to 140 mg KOH/g and an acid value of 0 to 10 mg KOH/g, the aforementioned polyurethane resin has a hydroxyl group value of 20 to 80 mg KOH/g and an acid value of 10 to 60 mg KOH/g, and the total mass ratio of constituent units derived from dibasic acids and/or dihydric alcohols having 10 to 60 carbon atoms in the aforementioned polyurethane resin is 10 to 50 mass % relative to the solid resin content of the aforementioned polyurethane resin.
• [EN] A LIQUID (METH) ACRYLIC SYRUP ITS METHOD OF POLYMERIZATION, USE AND MOLDED ARTICLE OBTAINED THEREOF<br/>[FR] SIROP (MÉTH)ACRYLIQUE LIQUIDE, SON PROCÉDÉ DE POLYMÉRISATION, SON UTILISATION ET ARTICLE MOULÉ OBTENU À PARTIR DE CELUI-CI
  申请人：ARKEMA FRANCE

  公开号：WO2014174098A1

  公开（公告）日：2014-10-30

  The present invention relates to a liquid (meth) acrylic syrup its method of polymerization and article obtained thereof. In particular the present invention deals with a liquid (meth) acrylic syrup comprising an initiation system for polymerization at low temperature. More particular present invention relates to a liquid (meth) acrylic syrup comprising an initiation system for polymerization at low temperature said initiating system comprises at least one accelerator, at least one organic aldehyde, at least one peracid and at least one liquid peroxy compound; an impregnation process for a fibrous substrate, the liquid (meth) acrylic syrup for implementing this process and the obtained impregnated fibrous substrate. The impregnated fibrous substrate is suitable for manufacturing mechanical or structured parts or articles. The present invention concerns also the process for polymerizing a liquid (meth) acrylic syrup comprising an initiation system for polymerization at low temperature said initiating system comprises at least one accelerator, at least one organic aldehyde at least one peracid and at least one liquid peroxy compound. The present invention concerns also manufacturing process for manufacturing mechanical or structured parts or articles and three- dimensional mechanical or structured parts obtained by this process.