| 170501-70-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• CAS: 170501-70-9
• 化学式: C₆₇H₇N
• 分子量: 825.799
• InChiKey: XTWRQKMJCLHOOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15
• 重原子数：
  68
• 可旋转键数：
  2
• 环数：
  34.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  在 三氟甲磺酸 作用下， 以 邻二氯苯 为溶剂， 反应 0.1h， 生成
  参考文献：
  名称：

  Facile and Exclusive Formation of Aziridinofullerenes by Acid-catalyzed Denitrogenation of Triazolinofullerenes

  摘要：

  Variously substituted [6,6]closed aziridinofullerenes were exclusively obtained from acid-catalyzed denitrogenation of triazolinofullerenes without formation of relevant [5,6]open azafulleroids, which are the major products on noncatalyzed denitrogenation. The mechanistic consideration by DFT calculations suggested a reaction sequence involving initial pre-equilibrium protonation of the triazoline N-1 atom, generation of aminofullerenyl cation by nitrogen-extrusion, and final aziridination.

  DOI：

  10.1021/ol302928d

文献信息

• Hypervalent Iodine Reagent Mediated Diamination of [60]Fullerene with Sulfamides or Phosphoryl Diamides
  作者：Hai-Tao Yang、Xin-Wei Lu、Meng-Lei Xing、Xiao-Qiang Sun、Chun-Bao Miao

  DOI：10.1021/ol5028305

  日期：2014.11.21

  A hypervalent iodine-promoted intermolecular diamination reactions of C60 with sulfamides or phosphoryl diamides affords two classes of novel C60-fused cyclic sulfamide or phosphoryl diamide derivatives. The reaction between C60 and sulfamides can be effectively controlled to selectively synthesize diamination products or azafulleroids under PhIO/I2 or PhI(OAc)2/I2 conditions, respectively. Moreover

  C 60与磺酰胺或磷酰二酰胺的碘价促进的高价分子间胺化反应提供了两类新型的C 60稠合的环状磺酰胺或磷酰二酰胺衍生物。可以有效地控制C 60和磺酰胺之间的反应，以分别在PhIO / I 2或PhI（OAc）2 / I 2条件下选择性地合成电子化产物或氮杂富勒烯类化合物。而且，磷酰基二酰胺首先被用作烯化中的胺源。
• Cu(OAc)₂-promoted reaction of [60]fullerene with primary amines or diamines
  作者：Xin-Wei Lu、Meng-Lei Xing、Chun-Bao Miao、Jia-Xing Li、Xiao-Qiang Sun、Hai-Tao Yang

  DOI：10.1039/c5ob01048a

  日期：——

  The Cu(OAc)₂-mediated oxidative dehydrogenative addition of easily available primary amines to C₆₀ allows the concise preparation of aziridinofullerenes. Moreover, the Cu(OAc)₂-promoted reaction of C₆₀ with diamines affords C₆₀-fused cyclic 1,2-diaminated fullerenes.

  Cu(OAc)2介导的氧化脱氢加成反应可以将易得的一级胺加成到C60上，从而简洁地制备出环氧丙烷基富勒烯。此外，Cu(OAc)2促进的C60与二元胺的反应可以得到C60融合的环状1,2-二胺基富勒烯。
• Hypervalent Iodine Reagent Mediated Reaction of [60]Fullerene with Amines
  作者：Chun-Bao Miao、Xin-Wei Lu、Ping Wu、Jiaxing Li、Wen-Long Ren、Meng-Lei Xing、Xiao-Qiang Sun、Hai-Tao Yang

  DOI：10.1021/jo402079m

  日期：2013.12.6

  The hypervalent iodine reagent mediated reaction of C-60 with various readily available amines for the easy preparation of iminofullerenes has been developed. The reaction between C-60 and sulfonamides can be effectively controlled to selectively synthesize azafulleroids or aziridinofullerenes under PhI(OAc)(2)/I-2 or PhIO/I-2/CuCl/lutidine conditions, respectively. For phosphamide and urea, only one isomer is obtained. However, carbamate gives three kinds of products. Interestingly, the reaction of C-60 with alkylamines allows the effective synthesis of aziridinofullerenes and regioselective cis-1-bisaziridinofullerenes.
• Facile and Exclusive Formation of Aziridinofullerenes by Acid-catalyzed Denitrogenation of Triazolinofullerenes
  作者：Naohiko Ikuma、Tsubasa Mikie、Yuta Doi、Koji Nakagawa、Ken Kokubo、Takumi Oshima

  DOI：10.1021/ol302928d

  日期：2012.12.7

  Variously substituted [6,6]closed aziridinofullerenes were exclusively obtained from acid-catalyzed denitrogenation of triazolinofullerenes without formation of relevant [5,6]open azafulleroids, which are the major products on noncatalyzed denitrogenation. The mechanistic consideration by DFT calculations suggested a reaction sequence involving initial pre-equilibrium protonation of the triazoline N-1 atom, generation of aminofullerenyl cation by nitrogen-extrusion, and final aziridination.