15-hydroxy-13-oxabicyclo[10.2.2]-4,7,10-trioxahexadecane-1(15),12(16)-diene-2,14-dione | 577794-94-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 15-hydroxy-13-oxabicyclo[10.2.2]-4,7,10-trioxahexadecane-1(15),12(16)-diene-2,14-dione
• 英文别名: 16-Hydroxy-3,6,9,14-tetraoxabicyclo[10.2.2]hexadeca-1(15),12(16)-diene-11,13-dione
• CAS: 577794-94-6
• 化学式: C₁₂H₁₄O₇
• 分子量: 270.239
• InChiKey: GCJLTMOEVAAUHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  91.3
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  15-hydroxy-13-oxabicyclo[10.2.2]-4,7,10-trioxahexadecane-1(15),12(16)-diene-2,14-dione 在 氨 作用下， 以 乙醇 为溶剂， 反应 48.0h， 以96%的产率得到13-oxo-3,6,9-trioxa-15-azabicyclo[9.3.1]pentadeca-1(14),11-diene-12-carboxylic acid
  参考文献：
  名称：

  A New Method for Synthesis of Crown Ether Type Pyridinophanes

  摘要：

  Bis(acylketene) (3) thermally generated from Meldrum's acid derivative (2) underwent intramolecular [4+2] cycloaddition to produce bridged dehydroacetic acid derivative (4). Heating 4 with methylamine and ammonia afforded crown ether type pyridinophanes (5) and (6) (12-crown-4), respectively. Reaction of the ketene (3) with (ethylene glycol)s afforded macrolactones (11similar to13) in satisfactory yields. Molecular structures of 4 and 6 are discussed based on X-Ray crystallographic analysis.

  DOI：

  10.3987/com-03-9740
• 作为产物：
  描述：

  1,11-bis(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3,6,9-trioxaundecane-1,11-dione 以 氯苯 为溶剂， 反应 20.0h， 以77%的产率得到15-hydroxy-13-oxabicyclo[10.2.2]-4,7,10-trioxahexadecane-1(15),12(16)-diene-2,14-dione
  参考文献：
  名称：

  A New Method for Synthesis of Crown Ether Type Pyridinophanes

  摘要：

  Bis(acylketene) (3) thermally generated from Meldrum's acid derivative (2) underwent intramolecular [4+2] cycloaddition to produce bridged dehydroacetic acid derivative (4). Heating 4 with methylamine and ammonia afforded crown ether type pyridinophanes (5) and (6) (12-crown-4), respectively. Reaction of the ketene (3) with (ethylene glycol)s afforded macrolactones (11similar to13) in satisfactory yields. Molecular structures of 4 and 6 are discussed based on X-Ray crystallographic analysis.

  DOI：

  10.3987/com-03-9740