(1S,2R,5S,6R,9S)-9-tert-Butoxy-tricyclo[4.2.1.02,5]nona-3,7-diene-3,4-dicarboxylic acid dimethyl ester | 135040-24-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (1S,2R,5S,6R,9S)-9-tert-Butoxy-tricyclo[4.2.1.02,5]nona-3,7-diene-3,4-dicarboxylic acid dimethyl ester
• CAS: 135040-24-3
• 化学式: C₁₇H₂₂O₅
• 分子量: 306.359
• InChiKey: GZOATLWXRMEZQE-CCTDTHSNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.87
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  61.83
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (1S,2R,5S,6R,9S)-9-tert-Butoxy-tricyclo[4.2.1.02,5]nona-3,7-diene-3,4-dicarboxylic acid dimethyl ester 以 二氯甲烷 为溶剂， 生成 C₃₄H₄₄O₁₀
  参考文献：
  名称：

  The synthesis of spacer molecules containing an alcohol group at each terminus

  摘要：

  New spacer molecules are reported which contain alcohol functional groups at each end of the rigid carbocyclic framework. Simple coupling and extension reactions are used in their production thereby offering wide versatility in the shape, length and physical properties of these molecules.

  DOI：

  10.1016/s0040-4039(00)85988-2
• 作为产物：
  描述：

  3-t-Butoxyquadricyclane 、 丁炔二酸二甲酯 以 苯 为溶剂， 生成 (1S,2R,5S,6R,9S)-9-tert-Butoxy-tricyclo[4.2.1.02,5]nona-3,7-diene-3,4-dicarboxylic acid dimethyl ester
  参考文献：
  名称：

  The synthesis of spacer molecules containing an alcohol group at each terminus

  摘要：

  New spacer molecules are reported which contain alcohol functional groups at each end of the rigid carbocyclic framework. Simple coupling and extension reactions are used in their production thereby offering wide versatility in the shape, length and physical properties of these molecules.

  DOI：

  10.1016/s0040-4039(00)85988-2