2,3,4,6-tetramethylbenzoic acid | 2408-38-0

• 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: 2,3,4,6-tetramethylbenzoic acid
• 英文别名: 2,3,4,6-Tetramethyl-benzoesaeure；Isodurol-eso-carbonsaeure；1.3.4.5-Tetramethyl-benzol-carbonsaeure-(2)
• CAS: 2408-38-0
• 化学式: C₁₁H₁₄O₂
• 分子量: 178.231
• InChiKey: CLWNWHIYDPUQMQ-UHFFFAOYSA-N

物化性质

• 熔点：
  164-166 °C
• 沸点：
  319.7±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：

  2,3,4,6-tetramethylbenzoic acid 在 lead(II) thiocyanate 作用下， 反应 0.33h， 生成 2,3,4,6-tetramethylbenzonitrile
  参考文献：
  名称：

  Rudenko, A. P.; Cheremisin, A. A.; Shchegoleva, L. N., Journal of Organic Chemistry USSR (English Translation), 1983, vol. 19, p. 1675 - 1684

  摘要：

  DOI：
• 作为产物：
  描述：

  1,2,3,5-四甲基苯 在 zinc(II) cyanide 、 盐酸 、 苯 作用下， 生成 2,3,4,6-tetramethylbenzoic acid
  参考文献：
  名称：

  Simplified Model for the Operation of Chilled Water Cooling Coils Under Nonnominal Conditions

  摘要：

  This study presents a cooling coil model for calculating energy consumption in air-conditioned buildings that has a minimal number of inputs. The model accurately determines the cooling energy rate and dehumidification energy rate tinder nonnominal conditions, and takes into account operation tinder variable air and water flows. In this manner, the model enhances the simplified ASHRAE Toolkit model without requiring more input data. The main assumptions are justified considering the common existing configurations of cooling coils in the air-conditioning industry. The parameters of the model are identified from only one nominal rating point. The model has been validated on a VAV facility with an average deviation of 5% for total energy rate. Errors are mainly due to the assumption that the coil is either completely wet or dry even if the surface is partially wet.

  DOI：

  10.1080/10789669.2002.10391433

文献信息

• The Triflic Acid-Catalysed Deacylation and Decarboxylation of Polymethylbenzenecarbonyl Derivatives under Mild Conditions
  作者：Takashi Keumi、Toshio Morita、Yoshihiro Ozawa、Hidehiko Kitajima

  DOI：10.1246/bcsj.62.599

  日期：1989.2

  Sterically hindered acylarenes are deacylated to arenes in good yields on heating in boiling 1,2-dichloroethane containing a catalytic amount of triflic acid and water. Hindered arenecarboxylic acids undergo decarboxylation under the same conditions to give arenes in high yields.

  在含有催化量三氟甲磺酸和水的1,2-二氯乙烷中加热，立体阻碍的酰芳烃能够高产率地脱酰基生成芳烃。在相同条件下，立体阻碍的芳烃羧酸可以高产率地脱羧生成芳烃。
• Process for preparing a methyl-substituted benzaldehyde
  申请人：E. I. Du Pont de Nemours and Company

  公开号：US04195040A1

  公开（公告）日：1980-03-25

  Process for formylating an alkyl-substituted benzene using carbon monoxide and hydrogen chloride, in the presence of aluminum chloride catalyst, in a reaction mixture which includes chlorobenzene as a solvent, and process for oxidizing an alkyl-substituted benzaldehyde using oxygen, in the presence of an autoxidation initiator, in a reaction mixture which includes cyclohexanone as a reductant.

  使用一氧化碳和氯化氢，在铝氯催化剂的存在下，通过在包括氯苯作为溶剂的反应混合物中，对烷基取代苯甲醛进行甲酰化的过程，以及在包括环己酮作为还原剂的反应混合物中，在自氧化引发剂的存在下，对烷基取代苯甲醛进行氧化的过程。
• Selective and Mild Deacylation of Hindered Acylarenes with Aqueous Trifluoroacetic Acid
  作者：Takashi Keumi、Toshio Morita、Yōko Inui、Naomi Teshima、Hidehiko Kitajima

  DOI：10.1055/s-1985-31413

  日期：——

  Sterically hindered acylarenes are deacylated to arenes in quantitative yields on heating in boiling 85% trifluoroacetic acid. Hindered arenecarboxylic acids undergo decarboxylation under the same conditions to give arenes in high yields.

  立体阻碍的酰基芳烃在加热到沸腾的85%三氟乙酸中被脱酰化为芳烃，产率量化。受阻的芳香酸在相同条件下发生脱羧反应，产生高产率的芳烃。
• [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。
• Macrocyclic compounds useful as inhibitors of kinases and HSP90
  申请人：Winssinger Nicolas

  公开号：US20080146545A1

  公开（公告）日：2008-06-19

  Disclosed are macrocyclic compounds of formulae I-V, which are analogs of the pochonin resorcylic acid lactones, and processes for the preparation of the compounds. The compounds disclosed are useful as inhibitors of kinases and Heat Shock Protein 90 (HSP 90). Also disclosed are pharmaceutical compositions comprising an effective kinase-inhibiting amount or an effective HSP90-inhibiting amount of the compounds and methods for the treatment of disorders that are mediated by kinases and HSP90.

  本发明公开了式I-V的大环化合物，它们是pochonin邻苯二酚内酯的类似物，并公开了制备这些化合物的方法。所公开的化合物可用作激酶和热休克蛋白90（HSP 90）的抑制剂。还公开了包含有效的激酶抑制剂量或有效的HSP90抑制剂量的药物组合物以及治疗由激酶和HSP90介导的疾病的方法。

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