N,N'-bis(6-amino-2-pyridinyl)-1,3-benzenedisulfonamide | 1561897-87-7

• 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,N'-bis(6-amino-2-pyridinyl)-1,3-benzenedisulfonamide
• CAS: 1561897-87-7
• 化学式: C₁₆H₁₆N₆O₄S₂
• 分子量: 420.473
• InChiKey: DKHMJCLSSMRFMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.24
• 重原子数：
  28.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  170.16
• 氢给体数：
  4.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  (R)-2,2'-bis(chloroformylmethoxy)-1,1'-binaphthyl 、 N,N'-bis(6-amino-2-pyridinyl)-1,3-benzenedisulfonamide 在 三乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 以37%的产率得到3,3,9,9-Tetraoxo-19,40-dioxa-3lambda6,9lambda6-dithia-2,10,16,43,48,49-hexazaoctacyclo[42.3.1.14,8.111,15.020,29.023,28.030,39.031,36]pentaconta-1(47),4(50),5,7,11,13,15(49),20(29),21,23,25,27,30(39),31,33,35,37,44(48),45-nonadecaene-17,42-dione
  参考文献：
  名称：

  Selective Anion Sensing by Chiral Macrocyclic Receptors with Multiple Hydrogen-Bonding Sites

  摘要：

  Chiral macrocycles featuring sulfonamide and/or amide groups as anion-binding sites were synthesized. X-ray crystal structures and DFT calculations have shown that they adopt different conformations that may lead to unique binding behavior. Indeed, various anions could be sensed by their colorimetric and/or fluorescence signal output. The chiral macrocycles showed chiral recognition for chiral anions. Furthermore, a multisensor array with two or four chiral receptors discriminated seven phosphate anions (AMP, ADP, ATP, CMP, GMP, Pi, and PPi) with 100% classification accuracy.

  DOI：

  10.1021/ol403643d
• 作为产物：
  描述：

  2,6-二氨基吡啶 、 1.3苯二磺酰氯 在 三乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 22.5h， 以67%的产率得到N,N'-bis(6-amino-2-pyridinyl)-1,3-benzenedisulfonamide
  参考文献：
  名称：

  Selective Anion Sensing by Chiral Macrocyclic Receptors with Multiple Hydrogen-Bonding Sites

  摘要：

  Chiral macrocycles featuring sulfonamide and/or amide groups as anion-binding sites were synthesized. X-ray crystal structures and DFT calculations have shown that they adopt different conformations that may lead to unique binding behavior. Indeed, various anions could be sensed by their colorimetric and/or fluorescence signal output. The chiral macrocycles showed chiral recognition for chiral anions. Furthermore, a multisensor array with two or four chiral receptors discriminated seven phosphate anions (AMP, ADP, ATP, CMP, GMP, Pi, and PPi) with 100% classification accuracy.

  DOI：

  10.1021/ol403643d