2,5-dimethyl-2,5-dihydroperoxy-3-hexyne | 3491-36-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,5-dimethyl-2,5-dihydroperoxy-3-hexyne
• 英文别名: 2,5-dihydroperoxy-2,5-dimethylhex-3-yne；2,5-dihydroperoxy-2,5-dimethyl-3-hexyne；2,5-dimethyl-2,5-dihydroperoxyhex-3-yne；2,5-dimethyl-2,5-dihydroperoxo-3-hexyne；2,5-Dihydroperoxy-2,5-dimethyl-hex-3-in；2,5-dimethyl-2,5-dihydroperoxyhexyne-3；2,5-dimethyl-2,5-dihydroperoxy hexyne
• CAS: 3491-36-9
• 化学式: C₈H₁₄O₄
• 分子量: 174.197
• InChiKey: VHRZZWMONXYKJP-UHFFFAOYSA-N

物化性质

• 沸点：
  225.17°C (rough estimate)
• 密度：
  1.0817 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  58.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,5-dimethyl-2,5-dihydroperoxy-3-hexyne 在 水 、 iron(II) sulfate 作用下， 生成 5-methyl-5-(3-oxo-but-1-ynyloxy)-hex-3-yn-2-one
  参考文献：
  名称：

  Organic Peroxides. XXI. A Study of the Decomposition of 2,5-Dimethyl-3-hexyn-2,5-Dihydroperoxide¹

  摘要：

  DOI：

  10.1021/ja01554a060
• 作为产物：
  描述：

  2,5-二甲基-3-己炔-2,5-二醇 在 硫酸 、 双氧水 作用下， 生成 2,5-dimethyl-2,5-dihydroperoxy-3-hexyne
  参考文献：
  名称：

  Organic Peroxides. XVI. Acetylene Peroxides and Hydroperoxides—A New Class of Organic Peroxides

  摘要：

  DOI：

  10.1021/ja01126a033

文献信息

• [EN] METHOD FOR PREPARING ORGANIC PEROXIDES ON SITE<br/>[FR] METHODE DE PREPARATION DE PEROXYDES ORGANIQUES SUR PLACE
  申请人：AKZO NOBEL NV

  公开号：WO2005075419A1

  公开（公告）日：2005-08-18

  The present invention relates to a process for preparing an organic peroxide and the subsequent use thereof in a (co)polymerization reaction, wherein the process comprises the steps (a), b1 (or b2), (c), (d), and (e), said steps being: (a) the reaction of chlorine with carbon monoxide, (b1) the reaction of phosgene formed in step (a) with one or more alcohols in order to prepare chloroformate, (b2) the reaction of phosgene formed in step (a) with one or more organic acids to prepare acid chloride, optionally in the presence of a catalyst suitable to effect the reaction of phosgene with said one or more organic acids, (c) the reaction of chloroformate, acid chloride, or mixture thereof with (in)organic hydroperoxide and base in an aqueous environment, (d) the transfer of organic peroxide formed in step (c) to a polymerization vessel, and (e) the (co)polymerization of monomer in the polymerization vessel in the presence of one or more organic peroxides transferred in step (d), wherein all of steps (a)-(e) are conducted at one site.

  本发明涉及一种用于制备有机过氧化物并在随后的(共)聚合反应中使用该过氧化物的方法，其中所述过程包括步骤(a)，b1(或b2)，(c)，(d)和(e)，这些步骤为：(a)氯与一氧化碳的反应，(b1)将步骤(a)中形成的光气与一种或多种醇反应以制备氯甲酸甲酯，(b2)将步骤(a)中形成的光气与一种或多种有机酸反应以制备酰氯，可选地在存在适合促进光气与所述一种或多种有机酸反应的催化剂的情况下进行，(c)将氯甲酸甲酯、酰氯或其混合物与(无机)有机过氧化氢和碱在水环境中反应，(d)将步骤(c)中形成的有机过氧化物转移到聚合釜中，以及(e)在聚合釜中，在步骤(d)转移的一种或多种有机过氧化物存在下，对单体进行(共)聚合，其中步骤(a)-(e)都在同一地点进行。
• ASYMMETRIC ORGANIC PEROXIDE, CROSSLINKING AGENT COMPRISING THE SAME, AND METHOD OF CROSSLINKING WITH THE SAME
  申请人：NOF CORPORATION

  公开号：EP1233014A1

  公开（公告）日：2002-08-21

  A crosslinking agent comprising an asymmetry organic peroxide having at least one structure unit of (substituted)benzoylcarbonyloxy group represented by the following formula (1) in the molecule thereof. Environmentally friendly crosslinking agents and crosslinked silicone rubber moldings are provided thereby. Specifically, useful crosslinking agents and crosslinking processes for silicone rubber are provided.

  一种交联剂，包括至少具有分子中表示为以下式（1）的（取代）苯甲酰羰氧基结构单元的不对称有机过氧化物。因此提供了环保的交联剂和交联硅橡胶成型品。具体提供了用于硅橡胶的有用交联剂和交联工艺。
• Synthesis and Properties of Peroxy Esters Having a Benzophenone Chromophore
  作者：Hiromi Kumura、Tomoyuki Nakamura、Yoshiki Higuchi、Shuji Suyama

  DOI：10.1246/bcsj.64.3538

  日期：1991.12

  Diperoxy esters having a benzophenone chromophore have been successfully synthesized from the reaction of 3-chloro-3-phenylphthalide (1) with 2,5-dihydroperoxy-2,5-dimethyl-3-hexyne (4a) or 2,5-dihydroperoxy-2,5-dimethylhexane (4b). The corresponding diperoxy esters had a UV absorption above 300 nm. The free radicals produced during the photolysis of these compounds initiated the radical polymerization

  通过 3-氯-3-苯基苯酞 (1) 与 2,5-二氢过氧-2,5-二甲基-3-己炔 (4a) 或 2,5-二氢过氧- 2,5-二甲基己烷 (4b)。相应的双过氧酯在 300 nm 以上具有紫外吸收。这些化合物在光解过程中产生的自由基在室温下在紫外光下引发了甲基丙烯酸甲酯的自由基聚合。
• [EN] PROCESS FOR THE PRODUCTION OF A FERTILIZER<br/>[FR] PROCÉDÉ DE PRODUCTION D'UN ENGRAIS
  申请人：AKZO NOBEL CHEMICALS INT BV

  公开号：WO2019145304A1

  公开（公告）日：2019-08-01

  Process for the production of a compound comprising potassium phosphite comprising the steps of (a) reacting carboxylic acid of the formula R-(C(=O)OH)n with phosphorous trichloride (PCl3) towards a mixture comprising phosphorous acid (H3PO3) and acid chloride of the formula R-(C(=O)Cl)n; wherein R is a linear or branched alkyl or alkanediyl group with 1-20 carbon atoms and n is 1 or 2, (b) subjecting said mixture to a separation step, thereby obtaining (i) a fraction comprising crude phosphorous acid (H3PO3) and (ii) a fraction comprising acid chloride, (c) combining water, a potassium compound selected from KOH, KHCO3 and K2CO3, and the fraction comprising crude phosphorous acid, thereby forming an aqueous solution comprising potassium phosphite, and (d) removing organic compounds from said aqueous solution.

  生产含磷酸钾的化合物的工艺包括以下步骤：(a)将具有化学式R-(C(=O)OH)n的羧酸与三氯化磷（PCl3）反应，生成包含磷酸（H3PO3）和具有化学式R-(C(=O)Cl)n的酸氯化物的混合物；其中R是具有1-20个碳原子的直链或支链烷基或烷二基基团，n为1或2，(b)将所述混合物进行分离步骤，从而获得(i)包含粗磷酸（H3PO3）的部分和(ii)包含酸氯化物的部分，(c)结合水、从KOH、KHCO3和K2CO3中选择的钾化合物以及包含粗磷酸的部分，从而形成含有磷酸钾的水溶液，以及(d)从所述水溶液中去除有机化合物。
• Compounds by addition of hydroperoxides to .alpha.-.beta.-unsaturated
  申请人：Pennwalt Corporation

  公开号：US04257985A1

  公开（公告）日：1981-03-24

  Compounds containing at least one keto group and at least one peroxy group, each peroxy oxygen being joined to a tertiary carbon atom. Examples: 2-Methyl-2-(t-butylperoxy)-4-pentanone. 2,6-Dimethyl-2,6-bis(t-butylperoxy)-4-heptanone. 3,5,5-Trimethyl-3-(t-butylperoxy)cyclohexanone. The compounds are prepared by the strong acid catalyzed addition of a tertiary hydroperoxide to an .alpha.,.beta.-unsaturated ketone. Illustration: Mesityl oxide and pinanyl hydroperoxide, in slight excess, were reacted at 0.degree. C. in the presence of 77% sulfuric acid; the reaction mix was stirred for 16 hours at 25.degree. C. Product 2-methyl-2-pinanylperoxy-4-pentanone was recovered.

  含有至少一个酮基团和至少一个过氧基团的化合物，每个过氧氧原子连接到一个三级碳原子。示例：2-甲基-2-(叔丁基过氧)-4-戊酮。2,6-二甲基-2,6-双(叔丁基过氧)-4-庚酮。3,5,5-三甲基-3-(叔丁基过氧)环己酮。这些化合物通过强酸催化的方法将三级过氧化氢添加到α，β-不饱和酮中制备而成。举例：在0摄氏度下，将亚甲基环氧化合物和蒎烯过氧化氢反应，加入77%的硫酸；反应混合物在25摄氏度下搅拌16小时。产物2-甲基-2-蒎基过氧-4-戊酮被回收。