Benzaldehyde, 2-[(5-oxohexyl)oxy]- | 676995-85-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: Benzaldehyde, 2-[(5-oxohexyl)oxy]-
• 英文别名: 2-(5-oxohexoxy)benzaldehyde
• CAS: 676995-85-0
• 化学式: C₁₃H₁₆O₃
• 分子量: 220.268
• InChiKey: OJMUOHDRMFMOPA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(二吡咯-2-基)甲基三甲苯 、 Benzaldehyde, 2-[(5-oxohexyl)oxy]- 在 三氟化硼乙醚 、 氯化铵 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 乙腈 为溶剂， 反应 1.0h， 生成 5,15-bis[2-(5-oxo-hexyloxy)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin
  参考文献：
  名称：

  Calix[4]pyrrole-Capped Metalloporphyrins as Ditopic Receptor Models for Anions

  摘要：

  Strapped calix[4]pyrrole-metalloporphyrin conjugates, potential hosts for anionic guests, have been synthesized and characterized. The condensation unexpectedly resulted in the formation of the two conformational isomers of calix[4]pyrrole-capped porphyrins 6 and 7. The anion binding studies revealed that only isomer 6 showed strong binding with fluoride anion in organic solvent, and neither isomer showed any appreciable binding with Cl-, Br-, and I-.

  DOI：

  10.1021/ol0360750
• 作为产物：
  描述：

  6-溴-2-己酮 、 邻甲基苄醇 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 Benzaldehyde, 2-[(5-oxohexyl)oxy]-
  参考文献：
  名称：

  Calix[4]pyrrole-Capped Metalloporphyrins as Ditopic Receptor Models for Anions

  摘要：

  Strapped calix[4]pyrrole-metalloporphyrin conjugates, potential hosts for anionic guests, have been synthesized and characterized. The condensation unexpectedly resulted in the formation of the two conformational isomers of calix[4]pyrrole-capped porphyrins 6 and 7. The anion binding studies revealed that only isomer 6 showed strong binding with fluoride anion in organic solvent, and neither isomer showed any appreciable binding with Cl-, Br-, and I-.

  DOI：

  10.1021/ol0360750

文献信息

• Calix[4]pyrrole-Capped Metalloporphyrins as Ditopic Receptor Models for Anions
  作者：Pradeepta K. Panda、Chang-Hee Lee

  DOI：10.1021/ol0360750

  日期：2004.3.1

  Strapped calix[4]pyrrole-metalloporphyrin conjugates, potential hosts for anionic guests, have been synthesized and characterized. The condensation unexpectedly resulted in the formation of the two conformational isomers of calix[4]pyrrole-capped porphyrins 6 and 7. The anion binding studies revealed that only isomer 6 showed strong binding with fluoride anion in organic solvent, and neither isomer showed any appreciable binding with Cl-, Br-, and I-.