2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecen-14-carbaldehyd | 143921-22-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecen-14-carbaldehyd
• 英文别名: 14-Formyl-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxycyclopentadecine；2-formyl benzo-15-crown-5；3'-Formyl-benzo-15-crown-5；2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene-16-carbaldehyde
• CAS: 143921-22-6
• 化学式: C₁₅H₂₀O₆
• 分子量: 296.32
• InChiKey: GZVOBUALKCQWRZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  63.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecen-14-carbaldehyd 在 palladium on activated charcoal 氢氧化钾 、 氢气 作用下， 以 乙醇 、 乙酸乙酯 为溶剂， 反应 2.0h， 生成 1-(2-Hydroxy-phenyl)-3-(6,7,9,10,12,13,15,16-octahydro-5,8,11,14,17-pentaoxa-benzocyclopentadecen-1-yl)-propan-1-one
  参考文献：
  名称：

  Mashraqui, Sabir H.; Vashi, Dhaval; Subramanian, Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 2006, vol. 45, # 5, p. 1269 - 1273

  摘要：

  DOI：
• 作为产物：
  描述：

  2,3-二羟基苯甲醛 、 1,4-ditosyloxybutane 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 以10%的产率得到2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecen-14-carbaldehyd
  参考文献：
  名称：

  Design and synthesis of ionophores with multiple receptor sites: solution nuclear magnetic resonance studies of their interaction with chloride, sodium and potassium ions

  摘要：

  Ionophores of the bis(crown ether) type, with polyamine linkers, examples of which are known to bind Simultaneously to a cation and its counter anion, have been prepared. One-pot reductive amination, used to couple a benzo-crown aldehyde with aliphatic (both linear and cyclic) and aromatic polyamines. proved to be the most efficient route. A strong inhibition of one synthetic route (amine benzylation) was observed. The competitive interaction between chloride and other anions for binding with the protonated ionophores was examined using Cl-35 NMR spectroscopy. Sandwich complexing of potassium contrasting with single-face complexation of sodium was demonstrated by C-13 NMR Spectroscopy

  DOI：

  10.1039/dt9940003637

文献信息

• Schwoeppe, Dirk; Meier, Herbert, Journal fur Praktische Chemie (Weinheim), 2000, vol. 342, # 5, p. 459 - 464
  作者：Schwoeppe, Dirk、Meier, Herbert

  DOI：——

  日期：——