tert-butyl p-nitrophenylperacetate | 29540-08-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: tert-butyl p-nitrophenylperacetate
• 英文别名: p-Nitrophenylperessigsaeure-tert.-butylester；tert.-Butyl-p-nitrophenylperacetat；Tert-butyl 2-(4-nitrophenyl)ethaneperoxoate
• CAS: 29540-08-7
• 化学式: C₁₂H₁₅NO₅
• 分子量: 253.255
• InChiKey: JVWPGZRXYSXTSI-UHFFFAOYSA-N

物化性质

• 熔点：
  53.2-53.4 °C
• 沸点：
  357.4±44.0 °C(Predicted)
• 密度：
  1.205±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  81.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  tert-butyl p-nitrophenylperacetate 在 potassium fluoride 、 苯硫酚 作用下， 以 氘代氯仿 为溶剂， 生成 4-硝基甲苯 、 对硝基苯乙酸
  参考文献：
  名称：

  苯硫酚引起的叔丁基苯基过乙酸酯的热分解：同时发生均解和单电子转移。

  摘要：

  苯硫基叔丁基叔丁基酯在硫酚存在下的热解通过双重机理进行。两键均质表明rho（+）（4）= -1.16，证明为极性跃迁态。单电子转移产生自由基阴离子中间体，该中间体发生碎裂，rho（ET）= 1.01。

  DOI：

  10.1021/jo0106290
• 作为产物：
  描述：

  叔丁基过氧化氢 、 2-(4-硝基苯基)乙酰氯 生成 tert-butyl p-nitrophenylperacetate
  参考文献：
  名称：

  Secondary α-Deuterium Kinetic Isotope Effects Signifying a Polar Transition State in the Thermolysis of Ring-Substituted tert-Butyl Phenylperacetates

  摘要：

  Several ring-substituted tert-butyl phenylperacetates (YC6H4CH2CO3But) and their deuterated versions (YC6H4CD2CO3But) were prepared (Y: p-OCH3, P-CH3, p-H; and p-NO2). Thermolyses at 80 degrees C in CDCl3 showed excellent first-order kinetics. The rates have been measured as k(YH) x 10(4) and k(YD) x 10(4) s(-1): 11.9 and 9.20 (p-OCH3), 2.64 and 2.22 (p-CH3), 1.06 and 0.93 (p-H), 0.164 and 0.156 (p-NO2). Hammett correlations were derived to yield rho(YH)(+) = -1.17 and rho(YD)(+) = -1.12. However, better Hammett plots were obtained with three points (p-OCH3, p-CH3, and p-H) showing rho(YH)(+) = -1.35 and rho(YD)(+) = -1.28. SDKIE was calculated as 1.293 (p-OCH3), 1.189 (p-CH3), 1.140 (p-H), and 1.051 (p-NO2), showing substantial substituent effects. Values of k(YH)/k(YD) for p-NO2 showed little temperature dependence. Hammett correlations and SDKIE were derived from the same kinetic entity that is the band cleavage.

  DOI：

  10.1021/jo9814492

文献信息

• Thermolysis of <i>tert</i>-Butyl Phenylperacetates:  Delicate Control of the Rates through Contributions from Translational and Rotational Entropy
  作者：Sung Soo Kim、In Sang Baek、Alexey Tuchkin、Kyoung Moon Go

  DOI：10.1021/jo010143j

  日期：2001.6.1

  m-Cl, and p-NO(2). The relative rates (k(Y)/k(H)) exhibit excellent rho(+)/sigma(+) Hammett correlations with rho(+) < 0, indicating a polar TS. Activation parameters (DeltaH()(Y) and DeltaS()(Y)) and their differential terms (DeltaDeltaH()(Y)(-)(H) and DeltaDeltaS()(Y)(-)(H)) were obtained from the Eyring plot. Differential activation terms (DeltaDeltaH()(Y)(-)(H) and DeltaDeltaS()(Y)(-)(H)) disclose

  测量YC（6）H（4）CH（2）CO（3）C（CH（3））（）在CDCl（3）中几个温度下的一阶速率常数（k（Y）） 3）Y为p-OCH（3），p-OPh，p-CH（3），p-Ph，pH，p-Cl，m-Cl和p-NO（2）。相对比率（k（Y）/ k（H））表现出极好的rho（+）/ sigma（+）Hammett相关性，其中rho（+）<0，表明极性TS。获得激活参数（DeltaH（）（Y）和DeltaS（）（Y））及其微分项（DeltaDeltaH（）（Y）（-）（H）和DeltaDeltaS（）（Y）（-）（H））从Eyring剧情。差异激活术语（DeltaDeltaH（）（Y）（-）（H）和DeltaDeltaS（）（Y）（-）（H））揭示了与p-CH（3），p-Ph，pH，p- Cl和m-Cl（等速温度，230 K）。但是，p-OCH（3）和p-OPh显示负偏差，而p-NO（2）出
• Polyolefin products with improved toughness, strength and heat resistance
  申请人：Borealis GmbH

  公开号：EP1167404A1

  公开（公告）日：2002-01-02

  Polyolefin products with high requirements for toughness, strength and heat resistance, produced from modified olefin polymers based on modified propylene polymers which have been modified by reaction with bifunctional monomers in the presence of free-radical generators in the solid phase. The polyolefin products are particularly suitable for shock-absorbing components of motor vehicles, such as bumpers, spoilers and side edge protection elements.

  对韧性、强度和耐热性有较高要求的聚烯烃产品，是以改性丙烯聚合物为基础，通过在固相自由基发生器存在的情况下与双官能团单体发生反应而改性的改性烯烃聚合物制成的。 这种聚烯烃产品尤其适用于机动车辆的减震部件，如保险杠、扰流板和侧缘保护元件。
• Semi-finished products or moulded materials of improved toughness made from propylene polymers
  申请人：Borealis GmbH

  公开号：EP1211284A1

  公开（公告）日：2002-06-05

  The invention relates to semi-finished products or moulded materials of improved toughness made from propylene polymers and from polymeric C8-C14-vinylaromatics and/or polymethyl methacrylate in the form of embedded nanoparticles. The semi-finished products or moulded materials can be produced by sorption of mixtures made from C8-C14-vinylaromatics and/or methyl methacrylate with thermally decomposing free-radical generators by semi-finished products, moulded materials or pellets made from propylene polymers, and then polymerization of the absorbed monomers present in the semi-finished products, moulded materials or pellets made from propylene polymers, where appropriate with processing of the modified pellets to give semi-finished products or moulded materials. The semi-finished products or moulded materials are suitable for use as highly stressed components in the sectors of vehicle construction, household devices, mechanical engineering, electrical devices or electronics.

  本发明涉及由丙烯聚合物和嵌入纳米颗粒形式的聚合 C8-C14-乙烯基芳烃和/或聚 甲基丙烯酸甲酯制成的韧性更好的半成品或模塑材料。半成品或模塑材料可通过丙烯聚合物制成的半成品、模塑材料或颗粒吸附由 C8-C14-vinylaromatics 和/或甲基丙烯酸甲酯与热分解自由基发生器制成的混合物，然后聚合存在于丙烯聚合物制成的半成品、模塑材料或颗粒中的被吸收单体，在适当的情况下，对改性颗粒进行加工，得到半成品或模塑材料。 这些半成品或模塑材料适用于车辆制造、家用设备、机械工程、电气设备或电子产品等领域的高强度部件。
• Polypropylene composition with improved stiffness and toughness
  申请人：Borealis GmbH

  公开号：EP1382638A1

  公开（公告）日：2004-01-21

  The invention refers to a polypropylene composition with improved stiffness and improved toughness, comprising a component A which is comprised of a propylene homopolymer or a propylene copolymer with up to 50 mol% of at least one of ethylene and C4-C8 α-olefins or mixtures of such propylene homo- and copolymers, a component B which is comprised of a propylene polymer having strain hardening behaviour, and a component C which comprises a β-nucleating agent.

  本发明涉及一种具有更高硬度和韧性的聚丙烯组合物，它包括由丙烯均聚物或丙烯共聚物（乙烯和 C4-C8 α-烯烃中至少一种的含量不超过 50 摩尔）或丙烯均聚物和丙烯共聚物混合物组成的 A 组分、由具有应变硬化特性的丙烯聚合物组成的 B 组分和由β-成核剂组成的 C 组分。
• THERMALLY TREATED BIAXIALLY ORIENTED POLYPROPYLENE FILM
  申请人：Borealis AG

  公开号：EP4086299A1

  公开（公告）日：2022-11-09

  The present invention is directed to a process for producing a thermally treated biaxially oriented polypropylene film and to a thermally treated biaxially oriented polypropylene film obtained by the process. The present invention further relates to a capacitor comprising an insulation film comprising a layer of the thermally treated biaxially oriented polypropylene film of the present invention. The present invention is further directed to the use of a thermally treated biaxially oriented polypropylene film of the present invention.

  本发明涉及一种生产热处理双轴拉伸聚丙烯薄膜的工艺，以及由该工艺获得的热处理双轴拉伸聚丙烯薄膜。本发明还涉及一种电容器，该电容器的绝缘膜包括一层本发明的热处理双向拉伸聚丙烯膜。本发明进一步涉及本发明热处理双向拉伸聚丙烯薄膜的用途。