2,5-二甲基苯-1,4-二甲酰胺 | 847974-06-5

• 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: 2,5-二甲基苯-1,4-二甲酰胺
• 英文名称: 2,5-dimethylterephthalamide
• 英文别名: 2,5-Dimethylbenzene-1,4-dicarboxamide
• CAS: 847974-06-5
• 化学式: C₁₀H₁₂N₂O₂
• mdl: MFCD09030847
• 分子量: 192.217
• InChiKey: ORKLAWVQZCGGQB-UHFFFAOYSA-N

物化性质

• 熔点：
  >280 °C
• 沸点：
  277.2±40.0 °C(Predicted)
• 密度：
  1.205±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  86.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2,5-二甲基对苯二腈 在 硫酸 、 三氟乙酸 作用下， 反应 5.0h， 生成 2,5-二甲基苯-1,4-二甲酰胺
  参考文献：
  名称：

  Facile and Highly Selective Conversion of Nitriles to Amides via Indirect Acid-Catalyzed Hydration Using TFA or AcOH−H₂SO₄

  摘要：

  Both aliphatic and aromatic nitriles are conveniently and selectively converted in a single step, via an indirect acid-catalyzed hydration, into the corresponding amides in 1-8 h using a TFA-H2SO4 mixture as a reagent system. Although the same reagent did not work for the sterically hindered nitriles such as mesitonitrile, the transformation could be accomplished by changing TFA to AcOH at higher temperatures (>90 degreesC).

  DOI：

  10.1021/jo048240a

文献信息

• Tropane compounds
  申请人：Exelixis, Inc.

  公开号：US08012956B2

  公开（公告）日：2011-09-06

  A compound according to Formula I or II: wherein R1, R1b, R2, L1, and L2 and L2b are as defined in the specification, pharmaceutical compositions thereof, and methods of use thereof.

  一种根据公式I或II的化合物：其中R1、R1b、R2、L1和L2和L2b如规范中所定义，其药物组成物和使用方法。
• [EN] POLYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY<br/>[FR] DERIVES DE POLYAMIDE POSSEDANT UNE ACTIVITE ANTIBACTERIENNE, ANTIFONGIQUE OU ANTITUMORALE
  申请人：GENELABS TECH INC

  公开号：WO2003057212A1

  公开（公告）日：2003-07-17

  The present invention provides novel compounds possessing one or more of the following activities: antibacterial, antifungal and antitumor activity. The compounds are of Formula (I): (I)Pharmaceutical compositions containing these compounds, methods of making and methods for using these compounds are also provided.