N-(3-methyl-2-pyridyl)-3,4,5,6-tetrachlorophthalamic acid | 718598-11-9

• 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: N-(3-methyl-2-pyridyl)-3,4,5,6-tetrachlorophthalamic acid
• CAS: 718598-11-9
• 化学式: C₁₄H₈Cl₄N₂O₃
• 分子量: 394.041
• InChiKey: DBXORPYQSYLRLH-UHFFFAOYSA-N

物化性质

• 熔点：
  215-216 °C(Solv: ethanol (64-17-5); dimethyl sulfoxide (67-68-5))
• 沸点：
  514.1±50.0 °C(Predicted)
• 密度：
  1.654±0.06 g/cm3(Predicted)

反应信息

• 作为反应物：
  描述：

  N-(3-methyl-2-pyridyl)-3,4,5,6-tetrachlorophthalamic acid 在 水 作用下， 以 甲醇 为溶剂， 生成 2-amino-6-methylpyridin-1-ium 2-carboxy-3,4,5,6-tetrachlorobenzoate
  参考文献：
  名称：

  Two hydration products of 3,4,5,6-tetrachloro-N-(methyl-2-pyridyl)phthalmic acids

  摘要：

  In 2-amino-6-methylpyridin-1-ium 2-carboxy-3,4,5,6-tetrachlorobenzoate, C6H9N2+center dot C8HCl4O4-, there are two perpendicular chains of hydrogen-bonded ions, one arising from the interaction between 2-carboxy-3,4,5,6-tetrachlorobenzoate ions and the other from the interaction between the 2-amino-6-methylpyridin-1-ium and 2-carboxy-3,4,5,6-tetrachlorobenzoate ions. These chains combine to form a two-dimensional network of hydrogen-bonded ions. Cocrystals of bis(2-amino-3-methylpyridin-1-ium) 3,4,5,6-tetrachlorophthalate-3,4,5,6-tetrachlorophthalic acid (1/1), 2C(6)H(9)N(2)(+)center dot C8Cl4O42-center dot C8H2-Cl4O4, form finite aggregates of hydrogen-bonded ions. pi-pi interactions are observed between 2-amino-3-methylpyridin-1-ium cations. Both structures exhibit the characteristic R-2(2)(8) motif as a result of the hydrogen bonding between the 2-aminopyridinium and carboxylate units.

  DOI：

  10.1107/s0108270111022384