6-[(4-叔丁基苯基)氨基]萘-2-磺酸钠 | 144796-65-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 6-[(4-叔丁基苯基)氨基]萘-2-磺酸钠
• 英文名称: 6-(4-tert-butylanilino)-2-naphthalenesulfonate
• 英文别名: Sodium 6-[4-(tert-butyl)anilino]naphthalene-2-sulfonate；sodium 6-(4-tert-butylaniline)-2-naphthalenesulfonate；6-(4-tert-Butylanilino)naphthalene-2-sulfonate；sodium;6-(4-tert-butylanilino)naphthalene-2-sulfonate
• CAS: 144796-65-6
• 化学式: C₂₀H₂₀NO₃S*Na
• 分子量: 377.439
• InChiKey: LHKBFUHGACIVSH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.79
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  77.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  、 6-[(4-叔丁基苯基)氨基]萘-2-磺酸钠 以 aq. phosphate buffer 为溶剂， 生成
  参考文献：
  名称：

  Design on head-to-tail directly linked homogeneous and heterogeneous cyclodextrin dimers and their evaluation of hydrophobic cavity

  摘要：

  Covalent directly head-to-tail linked homogeneous and heterogeneous cyclodextrin (CD) dimers were synthesized, and that the reaction of 6-tosylated alpha-, beta-, or gamma-CD with a beta-CD mono-oxyanion linked the second CD to the secondary hydroxyl side of beta-CD was demonstrated. Moreover, deprotonation of alpha- and gamma-CD using NaOH gave corresponding mono-oxyanions, which reacted with the 6-tosylated CDs to produce the CD dimers. The binding of the dimers to sodium 6-(4-tert-butylaniline)-2-naphthalene-sulfonate (BNS) was investigated. The binding constant of the (6)beta-(2)beta-CD dimer with BNS was estimated as 3.2 x 10(6) M-1, about 10(2) times larger than that of beta-CD monomer. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.02.128