2,3,4,5-tetramethylbenzoic acid | 2529-39-7

• 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: 2,3,4,5-tetramethylbenzoic acid
• 英文别名: tetramethylbenzoic acid；2,3,4,5-Tetramethyl-benzoesaeure；2.3.4.5-Tetramethyl-benzol-carbonsaeure-(1)；Prehnitol-eso-carbonsaeure
• CAS: 2529-39-7
• 化学式: C₁₁H₁₄O₂
• 分子量: 178.231
• InChiKey: JEBOPSGVIIUIQD-UHFFFAOYSA-N

物化性质

• 熔点：
  167-168.5 °C
• 沸点：
  327.3±11.0 °C(Predicted)
• 密度：
  1.066±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2916399090

反应信息

• 作为反应物：
  描述：

  2,3,4,5-tetramethylbenzoic acid 在 N-碘代丁二酰亚胺 、 硫酸 、 三氟乙酸 作用下， 以 乙腈 为溶剂， 反应 10.0h， 以92%的产率得到2-iodo-3,4,5,6-tetramethylbenzoic acid
  参考文献：
  名称：

  Twist Does a Twist to the Reactivity: Stoichiometric and Catalytic Oxidations with Twisted Tetramethyl-IBX

  摘要：

  The methyl groups in TetMe-IBX lower the activation energy corresponding to the rate-determining hypervalent twisting (theoretical calculations), and the steric relay between successive methyl groups twists the structure, which manifests in significant solubility in common organic solvents. Consequently, oxidations of alcohols and sulfides occur at room temperature in common organic solvents. In situ generation of the reactive TetMe-IBX from its precursor iodo-acid, i.e., 3,4,5,6-tetramethyl-2-iodobenzoic acid, in the presence of oxone as a co-oxidant facilitates the oxidation of diverse alcohols at room temperature.

  DOI：

  10.1021/jo201491q
• 作为产物：
  描述：

  五甲基苯 在 硝酸 、 苯 作用下， 生成 2,3,4,5-tetramethylbenzoic acid
  参考文献：
  名称：

  Gottschalk, Chemische Berichte, 1887, vol. 20, p. 3287

  摘要：

  DOI：

文献信息

• [EN] NOVEL COMPOUND HAVING BISAZO DYE SKELETON, PIGMENT COMPOSITION CONTAINING THE SAME, PIGMENT DISPERSION, INK, AND COLOR FILTER RESIST COMPOSITION<br/>[FR] NOUVEAU COMPOSÉ POSSÉDANT UN SQUELETTE DE COLORANT BISAZO, COMPOSITION DE PIGMENT LE CONTENANT, DISPERSION DE PIGMENT, ENCRE, ET COMPOSITION DE RÉSERVE À FILTRE COLORÉ
  申请人：CANON KK

  公开号：WO2013069815A1

  公开（公告）日：2013-05-16

  The present invention provides a pigment dispersant that can improve the dispersion of an azo pigment in a water-insoluble solvent. The present invention relates to a compound having a bisazo moiety and a polyester moiety.

  本发明提供了一种颜料分散剂，可以改善偶氮颜料在不溶于水的溶剂中的分散性。本发明涉及一种具有双偶氮基团和聚酯基团的化合物。
• Benzoylacetate esters as non-sensitizing chelating photo-protectants
  申请人：The Procter & Gamble Company

  公开号：US05492690A1

  公开（公告）日：1996-02-20

  The subject invention relates to pharmaceutical compositions comprising a safe and effective amount of a compound having the structure: ##STR1## wherein n is 3 or 4; each R is independently alkyl or alkoxy; and R' is C.sub.1 C.sub.20 alkyl; and a pharmaceutically-acceptable topical carrier. The subject invention also relates to methods for preventing damage to skin, without markedly sensitizing the skin, by topically applying a safe and effective amount of such compounds to the skin.

  该发明涉及含有结构为：##STR1## 的化合物的药物组合物，其中n为3或4；每个R独立地是烷基或烷氧基；R'是C.sub.1-C.sub.20烷基；以及药学上可接受的局部载体。该发明还涉及通过在皮肤上局部应用这些化合物的安全有效量来预防皮肤损伤，而不会显著使皮肤产生敏感反应的方法。
• [EN] METHOD OF PRODUCING 1-HEXENE<br/>[FR] PROCÉDÉ DE FABRICATION DU 1-HEXÈNE
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2011016581A1

  公开（公告）日：2011-02-10

  A method of producing 1-hexene comprising: step 1: a periodic table group IV transition metal compound, an organoaluminum compound and ethylene are brought into contact with each other in a solvent to obtain a solution containing 1-hexene; and step 2: the solution obtained in step 1 is brought into contact with an aqueous solution containing a metal hydroxide and having a pH of 12.0 or higher.

  生产1-己烯的方法包括：步骤1：将周期表第IV族过渡金属化合物、有机铝化合物和乙烯在溶剂中接触，以获得含有1-己烯的溶液；步骤2：将步骤1中获得的溶液与含有金属氢氧化物且pH值为12.0或更高的水溶液接触。
• Process for the preparation of alkylated aromatic carboxylic acids and
  申请人：Ciba-Geigy Corporation

  公开号：US05616787A1

  公开（公告）日：1997-04-01

  The invention relates to a process for the preparation of polyalkylated aromatic carboxylic acids of formula I ##STR1## wherein R.sub.1, R.sub.2, R.sub.3, R.sub.4 and R.sub.5 are each independently of one another hydrogen, C.sub.1 -C.sub.20 alkyl, halogen or C.sub.5 -C.sub.8 cycloalkyl, with the proviso that at least two of the substituents R.sub.1, R.sub.2, R.sub.3, R.sub.4 or R.sub.5 are alkyl and/or cycloalkyl, by reacting corresponding aromatic hydrocarbons with carbon dioxide, which reaction is carried out observing special ratios of temperature and pressure. The invention furthermore relates to a one-pot process for the preparation of the corresponding acyl halides.

  本发明涉及一种制备公式I的多烷基芳香羧酸的过程：##STR1##其中R.sub.1，R.sub.2，R.sub.3，R.sub.4和R.sub.5各自独立地为氢，C.sub.1-C.sub.20烷基，卤素或C.sub.5-C.sub.8环烷基，但至少两个R.sub.1，R.sub.2，R.sub.3，R.sub.4或R.sub.5取代基为烷基和/或环烷基，通过将相应的芳香烃与二氧化碳反应来实现，该反应在观察特定的温度和压力比率下进行。本发明还涉及一种制备相应酰卤的一锅法过程。
• Optimized liquid-phase oxidation
  申请人：Wonders George Alan

  公开号：US20060047145A1

  公开（公告）日：2006-03-02

  Disclosed is an optimized process and apparatus for more efficiently and economically carrying out the liquid-phase oxidation of an oxidizable compound. Such liquid-phase oxidation is carried out in a bubble column reactor that provides for a highly efficient reaction at relatively low temperatures. When the oxidized compound is para-xylene and the product from the oxidation reaction is crude terephthalic acid (CTA), such CTA product can be purified and separated by more economical techniques than could be employed if the CTA were formed by a conventional high-temperature oxidation process.

  公开了一种优化的工艺和装置，用于更有效和经济地进行可氧化化合物的液相氧化。这种液相氧化是在气泡柱反应器中进行的，可以在相对较低的温度下提供高效的反应。当被氧化的化合物是对二甲苯，氧化反应的产物是粗对苯二甲酸（CTA）时，这种CTA产物可以通过比传统高温氧化工艺更经济的技术进行纯化和分离。

表征谱图