2,5,8,11,14-Pentaoxa-17-thiabicyclo[13.3.0]octadeca-1(18),15-diene-16,18-dicarbaldehyde | 1064031-24-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,5,8,11,14-Pentaoxa-17-thiabicyclo[13.3.0]octadeca-1(18),15-diene-16,18-dicarbaldehyde
• 英文别名: 2,5,8,11,14-pentaoxa-17-thiabicyclo[13.3.0]octadeca-1(18),15-diene-16,18-dicarbaldehyde
• CAS: 1064031-24-8
• 化学式: C₁₄H₁₈O₇S
• 分子量: 330.359
• InChiKey: SPRVBWCNAXUEGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  109
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2,5,8,11,14-Pentaoxa-17-thiabicyclo[13.3.0]octadeca-1(18),15-diene-16,18-dicarbaldehyde 、 [4,5-Bis(methoxycarbonyl)-1,3-dithiol-2-yl](tributyl)phosphonium tetrafluoroborate 在 三乙胺 作用下， 以 乙腈 为溶剂， 以70%的产率得到Dimethyl 2-[[18-[[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]methyl]-2,5,8,11,14-pentaoxa-17-thiabicyclo[13.3.0]octadeca-1(18),15-dien-16-yl]methylidene]-1,3-dithiole-4,5-dicarboxylate
  参考文献：
  名称：

  An extended tetrathiafulvalene redox-ligand incorporating a thiophene spacer

  摘要：

  An extended tetrathiafulvalene derivative incorporating a thiophene spacer and a fused crown-ether unit has been synthesized. This highly delocalized system exhibits remarkable electrochemical recognition Properties for Na+ and Ba2+ as shown by cyclic voltammetry in methylene chloride. This result is attributed to the Proximity between the guest metal cation and the positive charge of the oxidized ligand, which is located on the central conjugated thiophenic part. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.07.005
• 作为产物：
  描述：

  [18-(Hydroxymethyl)-2,5,8,11,14-pentaoxa-17-thiabicyclo[13.3.0]octadeca-1(18),15-dien-16-yl]methanol 在 重铬酸吡啶 作用下， 以 二氯甲烷 为溶剂， 以40%的产率得到2,5,8,11,14-Pentaoxa-17-thiabicyclo[13.3.0]octadeca-1(18),15-diene-16,18-dicarbaldehyde
  参考文献：
  名称：

  An extended tetrathiafulvalene redox-ligand incorporating a thiophene spacer

  摘要：

  An extended tetrathiafulvalene derivative incorporating a thiophene spacer and a fused crown-ether unit has been synthesized. This highly delocalized system exhibits remarkable electrochemical recognition Properties for Na+ and Ba2+ as shown by cyclic voltammetry in methylene chloride. This result is attributed to the Proximity between the guest metal cation and the positive charge of the oxidized ligand, which is located on the central conjugated thiophenic part. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.07.005