| 1421069-78-4

• 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
• CAS: 1421069-78-4
• 化学式: C₇₆H₃₈O₁₁
• 分子量: 1127.13
• InChiKey: RBHGJMFRJDOSRW-SAISEGDJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.3
• 重原子数：
  87
• 可旋转键数：
  12
• 环数：
  31.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  124
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  在 碘苯二乙酸 作用下， 以 苯 为溶剂， 反应 0.33h， 以69%的产率得到
  参考文献：
  名称：

  Synthesis of C₆₀(O)₃: An Open-Cage Fullerene with a Ketolactone Moiety on the Orifice

  摘要：

  Four isomers are currently known for the trioxygenated fullerene derivative C-60(O)(3), three regioisomers with all of the oxygen addends as epoxy groups and the unstable ozonide isomer with a 1,2,3-trioxlane ring. Here we report the synthesis of an open-cage isomer for C-60(O)(3) with a ketolactone moiety embedded into the fullerene skeleton through a three-step procedure mediated by fullerene peroxide chemistry. Two fullerene skeleton carbon-carbon bonds are cleaved in the process. The open-cage derivative C-60(O)(3) can be converted back to C-60 through deoxygenation with PPh3. Single crystal X-ray structure confirmed the open-cage structure.

  DOI：

  10.1021/jo3026302
• 作为产物：
  描述：

  在 水 、 silver perchlorate 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以62%的产率得到
  参考文献：
  名称：

  Synthesis of C₆₀(O)₃: An Open-Cage Fullerene with a Ketolactone Moiety on the Orifice

  摘要：

  Four isomers are currently known for the trioxygenated fullerene derivative C-60(O)(3), three regioisomers with all of the oxygen addends as epoxy groups and the unstable ozonide isomer with a 1,2,3-trioxlane ring. Here we report the synthesis of an open-cage isomer for C-60(O)(3) with a ketolactone moiety embedded into the fullerene skeleton through a three-step procedure mediated by fullerene peroxide chemistry. Two fullerene skeleton carbon-carbon bonds are cleaved in the process. The open-cage derivative C-60(O)(3) can be converted back to C-60 through deoxygenation with PPh3. Single crystal X-ray structure confirmed the open-cage structure.

  DOI：

  10.1021/jo3026302

文献信息

• Synthesis of C₆₀(O)₃: An Open-Cage Fullerene with a Ketolactone Moiety on the Orifice
  作者：Nana Xin、Xiaobing Yang、Zishuo Zhou、Jianxin Zhang、Showxin Zhang、Liangbing Gan

  DOI：10.1021/jo3026302

  日期：2013.2.1

  Four isomers are currently known for the trioxygenated fullerene derivative C-60(O)(3), three regioisomers with all of the oxygen addends as epoxy groups and the unstable ozonide isomer with a 1,2,3-trioxlane ring. Here we report the synthesis of an open-cage isomer for C-60(O)(3) with a ketolactone moiety embedded into the fullerene skeleton through a three-step procedure mediated by fullerene peroxide chemistry. Two fullerene skeleton carbon-carbon bonds are cleaved in the process. The open-cage derivative C-60(O)(3) can be converted back to C-60 through deoxygenation with PPh3. Single crystal X-ray structure confirmed the open-cage structure.