2-(n-propyl)-2-propyl peroxypivalate | 118364-97-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-(n-propyl)-2-propyl peroxypivalate
• 英文别名: 2-Methylpentan-2-YL 2,2-dimethylpropaneperoxoate
• CAS: 118364-97-9
• 化学式: C₁₁H₂₂O₃
• 分子量: 202.294
• InChiKey: RTEZVHMDMFEURJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(n-propyl)-2-propyl peroxypivalate 以 various solvent(s) 为溶剂， 反应 50.0h， 生成 2-甲基-2-戊醇 、 丙酮
  参考文献：
  名称：

  2,2-二甲基过氧丙酸叔烷基酯的均裂分解

  摘要：

  2,2-二甲基过氧丙酸叔烷基酯的分解速率和产物在异丙苯中在几个温度下测量。根据叔烷基部分的结构，过氧酯均分解。叔烷基部分与 1,1-二甲基乙基部分的相对比率为：1,1-二甲基丁基 (1.14)、1,1-二甲基丙基 (1.19)、1,1,2-三甲基丙基 (1.85)、1、 1,3,3-四甲基丁基 (2.10) 和 1,1-二甲基-2-苯乙基 (2.34)。分解显示出等速关系和超共轭稳定的重要性。基于这些数据，讨论了分解机制，其中包含 Cα-Cβ 键在过渡状态下与过氧氧的轻微拉伸。

  DOI：

  10.1246/bcsj.61.1641
• 作为产物：
  描述：

  叔己基过氧化氢 、 三甲基乙酰氯 生成 2-(n-propyl)-2-propyl peroxypivalate
  参考文献：
  名称：

  氮氧自由基捕获技术研究过氧新戊酸叔烷基酯的热分解机理

  摘要：

  通过使用氮氧化物自由基捕获技术，研究了一系列枯烯中的叔烷基过氧新戊酸酯1的热解。由热分解产生的叔烷氧基经历了单分子反应，β断裂和1,5-H移位，与从枯烯中提取氢竞争。叔烷氧基自由基β-断裂的绝对速率常数（变化超过4个数量级）表明烷氧基自由基的行为截然不同。但是，自由基产生效率1仅有微小的变化，从53（R = Me）到63％（R = Bu（t）（）），支持了一种机制，该机制涉及溶剂笼中的双键双键断裂产生叔叔-丁基，CO（2）和烷氧基。

  DOI：

  10.1021/jo990680s

文献信息

• Study of alkyl radicals fragmentation from 2-alkyl-2-propoxyl radicals
  作者：Tomoyuki Nakamura、Yasumasa Watanabe、Shuji Suyama、Hiroshi Tezuka

  DOI：10.1039/b106937n

  日期：2002.6.27

  The reaction of a series of 2-alkyl-2-propoxyl radicals 2 in cumene has been studied. Alkoxyl radicals 2 were generated from the thermolysis of the corresponding tert-alkyl peroxypivalates, and underwent several modes of unimolecular reactions, that is, β-scission to give methyl radical, β-scission to give alkyl radicals and 1,5-H shift, which competed with hydrogen abstraction from cumene. The ratios of the rate constant for alkyl radicals elimination to that for methyl radical elimination, kβ(R)/kβ(Me), were determined by using the radical trapping method employing TEMIO as the scavenger. The logarithm of the relative rate was satisfactorily correlated with the heat of formation of the leaving alkyl radicals containing the steric parameters of neopentyl radical 2d. Then the plot of ln [kβ(R)/kβ(Me)] vs. the SOMO energies of the corresponding alkyl radicals showed a linear relationship with a slope of −7.6 eV−1, which is comparable to that of formolysis of alkyl bromides. The mechanism involving a fairly polar transition state of the alkyl radicals fragmentation from tert-alkoxyl radicals 2 is discussed in terms of the MO diagrams and the solvent effects.

  研究了一系列 2-烷基-2-丙氧基自由基 2 在积雪烯中的反应。烷氧基自由基 2 是由相应的叔烷基过氧化新戊酸酯热分解生成的，并经历了几种单分子反应模式，即通过 β 裂解生成甲基自由基、通过 β 裂解生成烷基自由基和 1,5-H 迁移，这与从积雪烯中抽取氢气发生了竞争。通过使用 TEMIO 作为清除剂的自由基捕获法，确定了烷基自由基消除的速率常数与甲基自由基消除的速率常数（kβ(R)/kβ(Me)）之比。相对速率的对数与含新戊基自由基 2d 立体参数的离去烷基自由基的形成热呈满意的相关性。ln[kβ(R)/kβ(Me)]与相应烷基自由基的 SOMO 能的关系图显示出线性关系，斜率为-7.6 eV-1，与溴化烷基的甲解关系相当。从 MO 图和溶剂效应的角度讨论了从叔烷氧基自由基 2 分裂出烷基自由基的极性过渡态的机理。
• Reaction of <i>tert</i>-Alkoxyl and Alkyl Radicals with Styrene Studied by the Nitroxide Radical-Trapping Technique
  作者：Tomoyuki Nakamura、W. Ken Busfield、Ian D. Jenkins、Ezio Rizzardo、San H. Thang、Shuji Suyama

  DOI：10.1021/jo9707489

  日期：1997.8.1

  The reactions of tert-alkyl peroxypivalates 1 (R = methyl, ethyl, and n-propyl) with styrene in the presence of the free-radical scavenger (1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindol-2-yl)oxyl (2) have been studied at 60 degrees C, tert-Butyl and tert-alkoxyl radicals (tert-butoxyl, tert-pentyloxyl, and tert-hexyloxyl radicals) were generated from the thermolysis of 1, and the derivative alkyl radicals (methyl, ethyl, n-propyl, and 4-hydroxy-4-methylpentyl radicals) were formed by subsequent unimolecular reactions (beta-scission and 1,5-H shift) of the corresponding tert-alkoxyl radicals. The extent of the unimolecular reactions of the tert-alkoxyl radicals (versus addition to styrene) and the relative reactivity of alkyl radicals toward addition to styrene were obtained fi om the competitive addition/trapping reactions. The absolute rate constants for the addition of tert-butyl, ethyl, methyl, and n-propyl radicals to styrene at 60 degrees C were estimated to be (7.4, 4.7, 5, and 5.4) x 10(5) M-1 s(-1), respectively.
• WAVELENGTH CONVERSION MATERIAL AND SOLAR CELL SEALING FILM CONTAINING THE SAME
  申请人：BRIDGESTONE CORPORATION

  公开号：US20170130035A1

  公开（公告）日：2017-05-11

  Provided is a wavelength conversion material composed of resin particles comprising an acrylic resin and an organic rare earth complex contained in the acrylic resin, in which the acrylic resin is obtained from an acrylic resin composition comprising a cross-linking agent, and deterioration of the organic rare earth complex is prevented. A wavelength conversion material composed of resin particles comprising an acrylic resin and an organic rare earth complex contained in the acrylic resin, wherein the acrylic resin is a polymer which is a reaction product of an acrylic resin composition comprising a (meth)acrylate monomer, a crosslinking agent and an azo polymerization initiator, wherein the crosslinking agent is a compound represented by the following formula (I): where R 1 and R 2 each independently represent a hydrogen atom or a methyl group and n represents an integer of 2 to 14, and the content of the cross-linking agent is: 0.1 to 5 parts by mass based on 100 parts by mass of the (meth)acrylate monomer when n in formula (I) is 2; or 0.1 to 50 parts by mass based on 100 parts by mass of the (meth)acrylate monomer when n in formula (I) is 3 to 14.
• [EN] OPTICAL FILM ADHESIVE, ADHESIVE LAYER, OPTICAL MEMBER, AND IMAGE DISPLAY APPARATUS<br/>[FR] ADHÉSIF POUR FILM OPTIQUE, COUCHE ADHÉSIVE, ÉLÉMENT OPTIQUE ET DISPOSITIF D'AFFICHAGE D'IMAGE<br/>[KO] 광학 필름용 점착제, 점착제층, 광학 부재 및 화상표시장치
  申请人：SAMSUNG SDI CO LTD

  公开号：WO2020116918A1

  公开（公告）日：2020-06-11

  본 발명은 편면 보호 편광판에 사용했을 경우에도 가혹한 환경 하(고온, 고습, 열충격)에 있어서의 내구성을 향상시키는 동시에 휨 및 타흔의 양쪽을 억제할 수 있고, 더욱이 리워크성 (가공성)도 뛰어난 광학 필름용 점착제를 제공한다. 상기 광학 필름용 점착제는 (메타)아크릴산 에스터 공중합체(A)을 포함하는 광학 필름용 점착제로서, 상기 (메타)아크릴산 에스터 공중합체(A)는 (a1)(메타)아크릴산 알킬 에스터 단량체 유래의 구성 단위 약 10질량% 이상 약 95질량% 이하; (a2)알콕시알킬기 또는 알콕시알킬렌글리콜기를 갖는 (메타)아크릴산 알킬 에스터 단량체 유래의 구성 단위 약 5질량% 이상 약 90질량% 이하; 및 (a3)라디칼 중합성 관능기를 1개 갖는 (메타)아크릴산 유도체 단량체인 관능기 함유 단량체 유래의 구성 단위 약 0 질량% 초과 약 5질량% 미만(단, 상기 (a1), (a2) 및 (a3) 유래의 구성 단위의 합계량은 100질량%)를 포함하고, 상기 (메타)아크릴산 에스터 공중합체(A)의 유리 전이 온도가 약 -55℃ 초과 약 -50℃ 이하이며, 중량 평균 분자량이 약 70만 이상 약 200만 이하이다.
• [EN] THIOL COMPOUND, METHOD FOR SYNTHESIZING SAME, AND USES FOR SAID THIOL COMPOUND<br/>[FR] COMPOSÉ THIOL, PROCÉDÉ DE SYNTHÈSE DE CELUI-CI, ET UTILISATIONS DUDIT COMPOSÉ THIOL<br/>[JA] チオール化合物、その合成方法および該チオール化合物の利用
  申请人：SHIKOKU CHEM

  公开号：WO2020145111A1

  公开（公告）日：2020-07-16

  本発明は、新規なチオール化合物、該チオール化合物の合成方法、該チオール化合物を含有する硬化剤、該チオール化合物とエポキシ化合物を含有する樹脂組成物および、該チオール化合物と分子内に炭素－炭素二重結合を有するエン化合物を含有する樹脂組成物を提供することを目的とする。本発明のチオール化合物は、下記の化合物に例示される如く、ある種のジアルケン化合物とチオール化合物との反応生成物であって、分子内に２つ以上のチオエーテル結合を有するが、エステル結合を有しないチオール化合物である。