4-Methoxy-benzoic acid (1R,2S,6R,7S,11R)-3,5-dioxo-4-oxa-tricyclo[5.3.1.12,6]dodec-11-yl ester | 199277-36-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 4-Methoxy-benzoic acid (1R,2S,6R,7S,11R)-3,5-dioxo-4-oxa-tricyclo[5.3.1.12,6]dodec-11-yl ester
• CAS: 199277-36-6
• 化学式: C₁₉H₂₀O₆
• 分子量: 344.364
• InChiKey: MFTBOHALUPGUAO-RRACKEQVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.36
• 重原子数：
  25.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  78.9
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  4-Methoxy-benzoic acid (1R,2S,6R,7S,11R)-3,5-dioxo-4-oxa-tricyclo[5.3.1.12,6]dodec-11-yl ester 在 4-二甲氨基吡啶 、 氨 作用下， 以 四氢呋喃 为溶剂， 生成 (1S,2R,4S,5R,9S)-4-Carbamoyl-9-(4-methoxy-benzoyloxy)-bicyclo[3.3.1]nonane-2-carboxylic acid
  参考文献：
  名称：

  Design and synthesis of a new tricyclic scaffold for molecular recognition

  摘要：

  The design of a novel family of tricyclic scaffolds for use in molecular recognition is described. The synthesis of the most simple member of this family is presented and its use exemplified in the synthesis of receptor 2. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)10044-2
• 作为产物：
  描述：

  在 乙酰氯 作用下， 以95%的产率得到4-Methoxy-benzoic acid (1R,2S,6R,7S,11R)-3,5-dioxo-4-oxa-tricyclo[5.3.1.12,6]dodec-11-yl ester
  参考文献：
  名称：

  Design and synthesis of a new tricyclic scaffold for molecular recognition

  摘要：

  The design of a novel family of tricyclic scaffolds for use in molecular recognition is described. The synthesis of the most simple member of this family is presented and its use exemplified in the synthesis of receptor 2. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)10044-2