(3-Methylanilino) benzoate | 500209-09-6

• 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: (3-Methylanilino) benzoate
• CAS: 500209-09-6
• 化学式: C₁₄H₁₃NO₂
• 分子量: 227.263
• InChiKey: SKEPDSSTGGSVMA-UHFFFAOYSA-N

物化性质

• 沸点：
  336.6±35.0 °C(Predicted)
• 密度：
  1.190±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (3-Methylanilino) benzoate 、 beta-胸苷 在 三乙胺 作用下， 以 乙醇 、 氯仿 、 水 为溶剂， 反应 24.0h， 以6.9%的产率得到N-(thymidin-6-yl)-3-methylaniline1
  参考文献：
  名称：

  Synthesis and Characterization of Thymidine Adducts of Arylamines

  摘要：

  The synthesis of adducts of arylamines with thymidine are reported.

  DOI：

  10.1081/scc-120015711
• 作为产物：
  描述：

  间甲苯基羟胺 、 2-Benzoyl-1,3-dimethylbenzimidazolium 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 (3-Methylanilino) benzoate
  参考文献：
  名称：

  Selective O-acylation of aromatic hydroxylamines by 2-acylimidazolium and 2-acylbenzimidazolium salts

  摘要：

  2-Acyl 1,3-dimethylbenzimidazolium and 2-acyl 1,3-dimethylimidazolium salts react with N-aromatic hydroxylamines in the presence of base to give the O-acyl derivatives.

  DOI：

  10.1016/s0040-4039(00)79231-8

文献信息

• SYNTHESIS AND CHARACTERIZATION OF ADENOSINE ADDUCTS OF ARYLAMINES
  作者：N. V. Anil Kumar、K. Mantelingu、K. S. Rangappa

  DOI：10.1081/ncn-120014818

  日期：——

  Aromatic amines and nitroarenes are very important industrial intermediates. Several scientists ([1,2]) have extensively studied the covalent binding of a number of aromatic amines to DNA and identified various products by studying in vivo and in vitro reactions of esters of aryl hydroxylamine.([3]) Aromatic amines can be metabolised to highly reactive N-hydroxy aromatic amines. These are highly reactive intermediates which are responsible for the genotoxic effects of this class of compounds. DNA adducts of arylamines have been found in several organs of exposed experimental animals. With the advancement in analytical technique, scientists have quantified the DNA adducts of arylamines in human tissue. Therefore, the reference standards of DNA adducts have been synthesized. The deoxyguanosine adducts of arylamines by synthesis are known([4-7]) but not the adenosine adducts. Hence, this study of the reaction of arylamines with adenosine is undertaken.