| 1518975-81-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• CAS: 1518975-81-9
• 化学式: C₇₄H₂₆O₂
• 分子量: 947.019
• InChiKey: CCXBKWIFSWYHHX-BSDUMYPKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  76.0
• 可旋转键数：
  12.0
• 环数：
  33.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  十二烷醇 、 1,2-(3'-chloroformylcyclopropano)[60]fullerene 在 4-二甲氨基吡啶 作用下， 以 邻二氯苯 为溶剂， 反应 1.0h， 以35 mg的产率得到
  参考文献：
  名称：

  Conformational Analysis of Single Perfluoroalkyl Chains by Single-Molecule Real-Time Transmission Electron Microscopic Imaging

  摘要：

  Whereas a statistical average of molecular ensembles has been the conventional source of information on molecular structures, atomic resolution movies of single organic molecules obtained by single-molecule real-time transmission electron microscopy have recently emerged as a new tool to study the time evolution of the structures of individual molecules. The present work describes a proof-of-principle study of the determination of the conformation of each C-C bond in single perfluoroalkyl fullerene molecules encapsulated in a single-walled carbon nanotube (CNT) as well as those attached to the outer surface of a carbon nanohorn (CNH). Analysis of 82 individual molecules in CNTs under a 120 kV electron beam indicated that 6% of the CF2-CF2 bonds and about 20% of the CH2-CH2 bonds in the corresponding hydrocarbon analogue are in the gauche conformation. This comparison qualitatively matches the known conformational data based on time- and molecular-average as determined for ensembles. The transmission electron microscopy images also showed that the molecules entered the CNTs predominantly in one orientation. The molecules attached on a CNH surface moved more freely and exhibited more diverse conformation than those in a CNT, suggesting the potential applicability, of this method for the determination of the dynamic shape of flexible molecules and of detailed conformations. We observed little sign of any decomposition of the specimen molecules, at least up to 10(7) e.nm(-2) (electrons/nm(2)) at 120 kV acceleration voltage. Decomposition of CNHs under irradiation with a 300 kV electron beam was suppressed by cooling to 77 K, suggesting that the decomposition is a chemical process. Several lines of evidence suggest that the graphitic substrate and the attached molecules are very cold.

  DOI：

  10.1021/ja411235x