| 1166844-04-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• CAS: 1166844-04-7
• 化学式: C₆₃H₄O
• 分子量: 776.724
• InChiKey: MUZNNVISQCQWDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.1
• 重原子数：
  64
• 可旋转键数：
  1
• 环数：
  33.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  C₆₆H₁₂O₂ 在 三氟化硼乙醚 作用下， 以 甲苯 为溶剂， 反应 1.0h， 以74%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

• Copper-Catalyzed Reaction of C₆₀ with Tertiary Amines for the Preparation of Spiro-Linked Methanofullerenes and Fullerenoalkanals
  作者：Yong-Jian Liu、Jie Ge、Chun-Bao Miao、Hai-Tao Yang

  DOI：10.1021/acs.joc.9b00335

  日期：2019.5.17

  CuI-catalyzed reaction of C60 with tertiary amines by using air as the sole oxidant has been developed. Spiro-linked methanofullerenes bearing cyclic amides and fullerenoalkanals can be obtained selectively using the cyclic and acyclic amines as starting materials, respectively. The reactions show a wide functional group tolerance. In addition, four ([6,6]-phenyl-C61-butyric acid methyl ester) analogues

  通过使用空气作为唯一的氧化剂，已开发出CuI催化的C 60与叔胺的反应。分别使用环状和非环状胺作为起始原料，可以选择性地获得带有环状酰胺和富勒烯烷醛的螺旋连接的甲基富勒烯。反应显示出宽泛的官能团耐受性。另外，通过开发的方法可以容易地制备四个（[6,6]-苯基-C 61-丁酸甲酯）类似物。