4-甲基苯甲酸仲丁酯 | 100556-51-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-甲基苯甲酸仲丁酯
• 英文名称: sec-butyl 4-methylbenzoate
• 英文别名: Isobutyl-p-methylbenzoat；Benzoic acid, 4-methyl-, 1-methylpropyl ester；butan-2-yl 4-methylbenzoate
• CAS: 100556-51-2
• 化学式: C₁₂H₁₆O₂
• 分子量: 192.258
• InChiKey: AYASXGIVXFMQBW-UHFFFAOYSA-N

物化性质

• 沸点：
  262.1±9.0 °C(Predicted)
• 密度：
  0.993±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-甲基苯甲酸仲丁酯 在 N-溴代丁二酰亚胺(NBS) 、 18-冠醚-6 、 偶氮二异丁腈 、 potassium carbonate 作用下， 以 四氯化碳 、 丙酮 为溶剂， 反应 40.0h， 生成
  参考文献：
  名称：

  具有外消旋取代基的乙炔单体的两个不对称反应串联组合的新型高效绝对光学拆分方法

  摘要：

  一般的光学拆分需要使用光学拆分剂，每种外消旋化合物都应选择最佳的拆分剂。在这项研究中，我们将报告通过串联两个对映选择性反应，开发了一种新的圆偏振光 (CPL) 光学拆分方法，无需任何光学拆分剂。我们开发的这些反应是对映异构体选择性螺旋选择性聚合 ( ES-HSSP ) 和螺旋选择性选择性光环芳构化 ( SCAT ) 通过 CPL ( HS-SCAT )。由于这种显着独特的EPHS方法（EPHS  =  ES-HSSP  +  HS-SCAT) 选择性分解反应（ HS-SCAT ）不需要任何光学拆分剂、助催化剂和溶剂，该过程非常简单方便。由于该过程不包括目标外消旋体本身的任何分解，因此可以获得两种对映异构体。通过EPHS方法对映体分离的分离化合物的光学产率非常高，例如，薄荷醇、苯乙醇和 2-丁醇分别为 78%ee、93%ee 和 85%ee。此外，它们的化学收率约为 85% 至 94%。因此

  DOI：

  10.1002/chir.23404
• 作为产物：
  描述：

  4,4-二甲基苯甲酸 在 4-methyl-3-(2,4,6-trimethylphenyl)thiazolium tetrafluoroborate 、 四丁基溴化铵 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 氘代乙腈 、 乙腈 为溶剂， 反应 24.0h， 生成 4-甲基苯甲酸仲丁酯
  参考文献：
  名称：

  Organocatalyzed Anodic Oxidation of Aldehydes

  摘要：

  A method for the catalytic formation of electroauxiliaries and subsequent anodic oxidation has been developed. The process interfaces N-heterocyclic carbene-based organocatalysis with electro-organic synthesis to achieve direct oxidation of catalytically generated electroactive intermediates. We demonstrate the applicability of this method as a one-pot conversion of aldehydes to esters for a broad range of aldehyde and alcohol substrates. Furthermore, the anodic oxidation reactions are very clean, producing only H-2 gas as a result of cathodic reduction.

  DOI：

  10.1021/ja304716r

文献信息

• PALLADIUM-CATALYZED DOUBLE CARBONYLATION REACTIONS OF ARYL HALIDES AFFORDING α-KETO ESTERS
  作者：Fumiyuki Ozawa、Nobuo Kawasaki、Takakazu Yamamoto、Akio Yamamoto

  DOI：10.1246/cl.1985.567

  日期：1985.5.5

  Various aryl iodides can be converted into α-keto esters in reactions with carbon monoxide and alcohols in the presence of tertiary amines and catalytic amounts of tertiary phosphine-coordinated palladium complexes.

  多种芳基碘化物可在三烷基胺及少量三烷基膦配位的钯络合物催化下，与一氧化碳和醇反应生成α-酮酯。
• Copper-catalyzed Csp3–O cross-coupling of unactivated alkyl halides with organic peroxides
  作者：Huan-Huan Chen、Guang-Zu Wang、Jin Han、Meng-Yu Xu、Yong-Qiang Zhao、Hua-Jian Xu

  DOI：10.1016/j.tet.2013.11.085

  日期：2014.1

  haloalkanes is described. High yields of products were achieved under mild conditions. Significantly, in addition to primary alkyl halides, secondary alkyl halogenated hydrocarbons could also be applied to this system. The new reaction system could tolerate a wide range of organic peroxides.

  一种有效的铜催化的Ç SP3 -O过氧化物与卤代烷耦合进行说明。在温和的条件下获得了高产量的产品。显著，除了伯烷基卤化物，仲烷基卤代烃也可应用于该系统。新的反应系统可以耐受多种有机过氧化物。
• NOVEL SALT HAVING FLUORINE-CONTAINING CARBANION STRUCTURE, DERIVATIVE THEREOF, PHOTOACID GENERATOR, RESIST MATERIAL USING THE PHOTOACID GENERATOR, AND PATTERN FORMING METHOD
  申请人：Central Glass Company, Limited

  公开号：EP2264007A1

  公开（公告）日：2010-12-22

  There is provided an acid having a fluorine-containing carbanion structure or a salt having a fluorine-containing carbanion structure, which is represented by the following general formula (1). By using a photoacid generator for chemically amplified resist materials that generates this acid, it is possible to provide a photoacid generator which has a high sensitivity to the ArF excimer laser light or the like, of which acid (photo generated acid) to be generated has a sufficiently high acidity, and which has a high dissolution in resist solvent and a superior compatibility with resin, and a resist material containing such a photoacid generator.

  提供了一种具有含氟碳离子结构的酸或具有含氟碳离子结构的盐，其通式如下（1）。 通过使用产生这种酸的化学放大抗蚀剂材料用光酸发生器，可以提供一种对 ArF 准分子激光或类似光具有高灵敏度的光酸发生器，其中生成的酸（光产生的酸）具有足够高的酸度，并且在抗蚀剂溶剂中具有高溶解性，与树脂具有良好的相容性，还可以提供一种含有这种光酸发生器的抗蚀剂材料。
• HEAT-SENSITIVE TRANSFER SHEET
  申请人：YOKOZAWA Akito

  公开号：US20090060131A1

  公开（公告）日：2009-03-05

  A heat-sensitive transfer sheet containing a base film, a dye layer formed over one surface of the base film and containing a heat-transferable dye and a resin, and a heat-resistant lubricating layer formed over the other surface of the base film and containing a lubricant and a resin, wherein the heat-resistant lubricating layer contains a specific phosphate ester as the lubricant, and the maximum value of the following characteristic X-ray intensities is at least 5 times the minimum value thereof: characteristic X-ray intensities obtained by radiating an electron beam which is accelerated to 20 kV and has a beam diameter of 1 μm or less onto plural positions of the heat-sensitive transfer sheet from the heat-resistant lubricating layer side of this sheet, and measuring the resultant characteristic X-rays originating from the K-line of the phosphorus element in the heat-resistant lubricating layer by an energy dispersive X-ray spectrometer.
• OPTICAL FILM, POLARIZING PLATE, AND LIQUID-CRYSTAL DISPLAY DEVICE
  申请人：Oikawa Tokuju

  公开号：US20090086130A1

  公开（公告）日：2009-04-02

  An optical film comprising a transparent film, and, on the film, at least one layer formed by applying a composition comprising a titanium compound and/or a zirconium compound and a vinyl alcohol-based resin to a surface is disclosed.