2,2'-(2-Methyl-1,4-phenylenediamino)bisbenzoic acid | 213478-10-5

• 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: 2,2'-(2-Methyl-1,4-phenylenediamino)bisbenzoic acid
• CAS: 213478-10-5
• 化学式: C₂₁H₁₈N₂O₄
• 分子量: 362.385
• InChiKey: RGNRCVJINHBFJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.88
• 重原子数：
  27.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  98.66
• 氢给体数：
  4.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2,2'-(2-Methyl-1,4-phenylenediamino)bisbenzoic acid 在 N-溴代丁二酰亚胺(NBS) 、 lithium aluminium tetrahydride 、 三氯化铁 、 三氯氧磷 、 过氧化苯甲酰 作用下， 以 四氯化碳 为溶剂， 反应 42.5h， 生成 6-(n-Propylaminomethyl)dibenzo[b,j][4,7]phenanthroline
  参考文献：
  名称：

  Stabilization of DNA Triple Helices by Crescent-Shaped Dibenzophenanthrolines

  摘要：

  Mono- and disubstituted crescent-shaped dibenzophenanthrolines have been prepared and their ability to stabilize synthetic DNA triple helices has been investigated. Thermal denaturation experiments were conducted on two triplexes of different sequences in the presence of the various compounds. For both targets, the monosubstituted derivatives (4a,b) induced a large and specific increase of the temperature of the tripler-to-duplex transition compared with the duplex-to-single strand transition (Delta T-m(3-->2) - Delta T-m(2-->1) up to +32 degrees C), and appeared to be more efficient than their disubstituted analogues. Therefore compounds 4a and 4b seem to be better tripler-specific ligands than the previously reported benzopyridoindole (BPI) derivatives.

  DOI：

  10.1002/(sici)1521-3765(19980807)4:8<1504::aid-chem1504>3.0.co;2-t
• 作为产物：
  描述：

  2,5-二溴甲苯 、 邻氨基苯甲酸 在 copper(l) iodide 、 铜 、 potassium carbonate 作用下， 以 戊醇 为溶剂， 反应 4.0h， 以65%的产率得到2,2'-(2-Methyl-1,4-phenylenediamino)bisbenzoic acid
  参考文献：
  名称：

  Stabilization of DNA Triple Helices by Crescent-Shaped Dibenzophenanthrolines

  摘要：

  Mono- and disubstituted crescent-shaped dibenzophenanthrolines have been prepared and their ability to stabilize synthetic DNA triple helices has been investigated. Thermal denaturation experiments were conducted on two triplexes of different sequences in the presence of the various compounds. For both targets, the monosubstituted derivatives (4a,b) induced a large and specific increase of the temperature of the tripler-to-duplex transition compared with the duplex-to-single strand transition (Delta T-m(3-->2) - Delta T-m(2-->1) up to +32 degrees C), and appeared to be more efficient than their disubstituted analogues. Therefore compounds 4a and 4b seem to be better tripler-specific ligands than the previously reported benzopyridoindole (BPI) derivatives.

  DOI：

  10.1002/(sici)1521-3765(19980807)4:8<1504::aid-chem1504>3.0.co;2-t