dispiro[2,3-dihydro-2-methyl-1H-naphtho[2,1-b]thiopyran-1,2'-thiirane-3',9''-(2'',7''-dibromo-9''H-thioxanthene)] | 887603-54-5

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: dispiro[2,3-dihydro-2-methyl-1H-naphtho[2,1-b]thiopyran-1,2'-thiirane-3',9''-(2'',7''-dibromo-9''H-thioxanthene)]
• CAS: 887603-54-5
• 化学式: C₂₇H₁₈Br₂S₃
• 分子量: 598.446
• InChiKey: JOATVAOZAYFSQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  32
• 可旋转键数：
  0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  75.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  dispiro[2,3-dihydro-2-methyl-1H-naphtho[2,1-b]thiopyran-1,2'-thiirane-3',9''-(2'',7''-dibromo-9''H-thioxanthene)] 在 三甲氧基磷 作用下， 以 甲苯 为溶剂， 反应 16.0h， 以94%的产率得到2,7-dibromo-9-(2',3'-dihydro-2'-methyl-1'H-naphtho[2,1-b]thiopyran-1'-ylidene)-9H-thioxanthene
  参考文献：
  名称：

  En Route to a Motorized Nanocar

  摘要：

  With the eventual goal of demonstrating a motorized nanocar, the key structure has been synthesized which bears a light-activated unidirectional molecular motor and an oligo(phenylene ethynylene) chassis and axle system with four carboranes to serve as the wheels. Kinetics studies in solution show that the motor indeed rotates upon irradiation with 365 nm light, and the fullerene-free carborane wheel system is an essential design feature for motor operation.

  DOI：

  10.1021/ol060445d
• 作为产物：
  描述：

  9-噻吨酮 在 tetraphosphorus decasulfide 、 溴 、 溶剂黄146 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 80.0h， 生成 dispiro[2,3-dihydro-2-methyl-1H-naphtho[2,1-b]thiopyran-1,2'-thiirane-3',9''-(2'',7''-dibromo-9''H-thioxanthene)]
  参考文献：
  名称：

  Construction of Photo‐Responsive Pd ₂ L ₄ ‐Type Nanocages based on Feringa's Second‐Generation Motor and Its Guest Binding Ability for C ₆₀

  摘要：

  AbstractWe present the construction of a M2L4‐type metal‐organic nanocage featuring four endohedral Feringa's motor motifs and its adaptive encapsulation towards a C60 guest molecule. The structure of the cage, though complicated on the 1H NMR spectrum due to the adoption of mixed ligands, was unambiguously characterized with a combination of ESI‐MS, 2D DOSY, 13C NMR and particularly the SAXS technique. The molecular motor within the cage demonstrated similar photophysical properties to the uncoordinated one, indicating the motor's function was not compromised when it was anchored in such a confined nanospace. Furthermore, the nanocage showed good guest encapsulation ability towards C60, and a guest induced‐fit behavior of the cage was revealed based on the extensive SAXS analysis and molecular dynamics simulation. The adaptive motorized nanocage reported here represents one of the very few examples of integrating individual motors into a discrete nanoconfined system and offers prospects to achieve its non‐equilibrium functions.

  DOI：

  10.1002/chem.202201821