7,16-Bis-{4-[4-(4-chloro-butoxy)-phenoxy]-butyl}-1,4,10,13-tetraoxa-7,16-diaza-cyclooctadecane | 852359-99-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 7,16-Bis-{4-[4-(4-chloro-butoxy)-phenoxy]-butyl}-1,4,10,13-tetraoxa-7,16-diaza-cyclooctadecane
• CAS: 852359-99-0
• 化学式: C₄₀H₆₄Cl₂N₂O₈
• 分子量: 771.863
• InChiKey: LBDMWAFVXZWOMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.18
• 重原子数：
  52.0
• 可旋转键数：
  22.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  80.32
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  7,16-Bis-{4-[4-(4-chloro-butoxy)-phenoxy]-butyl}-1,4,10,13-tetraoxa-7,16-diaza-cyclooctadecane 、 N-dodecyl-4,13-diaza-18-crown-6 在 sodium carbonate 、 potassium iodide 作用下， 以 various solvent(s) 为溶剂， 反应 96.0h， 以15%的产率得到
  参考文献：
  名称：

  The influence of aromatic residues in hydraphile spacer units: assay by ion selective electrode methods and in bacteria

  摘要：

  A small library of hydraphiles has been prepared that incorporates either 1,4-phenylenedioxy or 2,6-naphthalenedioxy within the spacer chains. The side chains attached to the distal macrocycles in these tris(macrocyclic) compounds are either n-dodecyl or benzyl. The presence of the arenes subunits significantly affect sodium cation release from vesicles. The efficacy of ion transport is paralleled by the toxicity of these compounds to Bacillus subtilis. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.01.064
• 作为产物：
  描述：

  对苯二酚 在 sodium carbonate 、 potassium carbonate 、 potassium iodide 作用下， 以 various solvent(s) 为溶剂， 反应 120.0h， 生成 7,16-Bis-{4-[4-(4-chloro-butoxy)-phenoxy]-butyl}-1,4,10,13-tetraoxa-7,16-diaza-cyclooctadecane
  参考文献：
  名称：

  The influence of aromatic residues in hydraphile spacer units: assay by ion selective electrode methods and in bacteria

  摘要：

  A small library of hydraphiles has been prepared that incorporates either 1,4-phenylenedioxy or 2,6-naphthalenedioxy within the spacer chains. The side chains attached to the distal macrocycles in these tris(macrocyclic) compounds are either n-dodecyl or benzyl. The presence of the arenes subunits significantly affect sodium cation release from vesicles. The efficacy of ion transport is paralleled by the toxicity of these compounds to Bacillus subtilis. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.01.064