Methyl 2-but-3-ynoxy-5-formylbenzoate | 1289031-39-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Methyl 2-but-3-ynoxy-5-formylbenzoate
• CAS: 1289031-39-5
• 化学式: C₁₃H₁₂O₄
• 分子量: 232.236
• InChiKey: SDMPTFIDAWDWIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Methyl 2-but-3-ynoxy-5-formylbenzoate 在 lithium hydroxide monohydrate 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 4.0h， 以100%的产率得到2-But-3-ynoxy-5-formylbenzoic acid
  参考文献：
  名称：

  Hydrogen Bonding-Directed Quantitative Self-Assembly of Cyclotriveratrylene Capsules and Their Encapsulation of C₆₀ and C₇₀

  摘要：

  Under the direction of intramolecular three-center hydrogen bonding, two cyclotriveratrylene (CTV)-based capsules are assembled quantitatively from C-3-symmetric CTV precursors by forming three imine bonds from arylamide-derived foldamer segments. H-1 and C-13 NMR and UV/vis experiments reveal that the capsules strongly encapsulate C-60 and C-70 in discrete solvents.

  DOI：

  10.1021/jo102577a
• 作为产物：
  描述：

  5-甲酰基水杨酸甲酯 、 对甲苯磺酸 3-丁炔酯 在 potassium carbonate 、 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以82%的产率得到Methyl 2-but-3-ynoxy-5-formylbenzoate
  参考文献：
  名称：

  Hydrogen Bonding-Directed Quantitative Self-Assembly of Cyclotriveratrylene Capsules and Their Encapsulation of C₆₀ and C₇₀

  摘要：

  Under the direction of intramolecular three-center hydrogen bonding, two cyclotriveratrylene (CTV)-based capsules are assembled quantitatively from C-3-symmetric CTV precursors by forming three imine bonds from arylamide-derived foldamer segments. H-1 and C-13 NMR and UV/vis experiments reveal that the capsules strongly encapsulate C-60 and C-70 in discrete solvents.

  DOI：

  10.1021/jo102577a

文献信息

• Hydrogen Bonding-Directed Quantitative Self-Assembly of Cyclotriveratrylene Capsules and Their Encapsulation of C₆₀ and C₇₀
  作者：Lu Wang、Gui-Tao Wang、Xin Zhao、Xi-Kui Jiang、Zhan-Ting Li

  DOI：10.1021/jo102577a

  日期：2011.5.6

  Under the direction of intramolecular three-center hydrogen bonding, two cyclotriveratrylene (CTV)-based capsules are assembled quantitatively from C-3-symmetric CTV precursors by forming three imine bonds from arylamide-derived foldamer segments. H-1 and C-13 NMR and UV/vis experiments reveal that the capsules strongly encapsulate C-60 and C-70 in discrete solvents.