| 1166843-96-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• CAS: 1166843-96-4
• 化学式: C₆₄H₈O₂
• 分子量: 808.766
• InChiKey: WKJBJOTXGLBWMI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16
• 重原子数：
  66
• 可旋转键数：
  2
• 环数：
  33.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  在 三氟化硼乙醚 作用下， 以 甲苯 为溶剂， 反应 1.0h， 以33%的产率得到2,2-[60]fullerenoethanal
  参考文献：
  名称：

  An Alternative Type of Fullerene Products from the Reaction of [60]Fullerene with Alkoxides and Subsequent Derivatization

  摘要：

  Reaction of [60]fullerene with freshly prepared RCH(2)CH(2)ONa/RCH(2)CH(2)OH (R = H, Me, Et, Ph) in anhydrous toluene in the presence of air unexpectedly afforded fullerene products with a C(60)-fused tetrahydrofuran ring Skeleton and an acetal moiety, which could be further transformed into C(60)-fused dihydrofurans, tolyl-substituted C(60)-fused tetrahydrofuran, and methanofullerenes bearing a formyl group by boron trifluoride etherate. Possible reaction mechanisms are proposed to explain the formation of different fullerene products.

  DOI：

  10.1021/jo9005848
• 作为产物：
  描述：

  乙醇 、 足球烯 在 sodium 、 氧气 作用下， 以 甲苯 为溶剂， 反应 3.0h， 以14%的产率得到
  参考文献：
  名称：

  An Alternative Type of Fullerene Products from the Reaction of [60]Fullerene with Alkoxides and Subsequent Derivatization

  摘要：

  Reaction of [60]fullerene with freshly prepared RCH(2)CH(2)ONa/RCH(2)CH(2)OH (R = H, Me, Et, Ph) in anhydrous toluene in the presence of air unexpectedly afforded fullerene products with a C(60)-fused tetrahydrofuran ring Skeleton and an acetal moiety, which could be further transformed into C(60)-fused dihydrofurans, tolyl-substituted C(60)-fused tetrahydrofuran, and methanofullerenes bearing a formyl group by boron trifluoride etherate. Possible reaction mechanisms are proposed to explain the formation of different fullerene products.

  DOI：

  10.1021/jo9005848

文献信息

• An Alternative Type of Fullerene Products from the Reaction of [60]Fullerene with Alkoxides and Subsequent Derivatization
  作者：Guan-Wu Wang、Yong-Ming Lu、Zhong-Xiu Chen、Shi-Hui Wu

  DOI：10.1021/jo9005848

  日期：2009.7.3

  Reaction of [60]fullerene with freshly prepared RCH(2)CH(2)ONa/RCH(2)CH(2)OH (R = H, Me, Et, Ph) in anhydrous toluene in the presence of air unexpectedly afforded fullerene products with a C(60)-fused tetrahydrofuran ring Skeleton and an acetal moiety, which could be further transformed into C(60)-fused dihydrofurans, tolyl-substituted C(60)-fused tetrahydrofuran, and methanofullerenes bearing a formyl group by boron trifluoride etherate. Possible reaction mechanisms are proposed to explain the formation of different fullerene products.