(2-bromothiazol-5-yl)methyl acetate | 1039752-22-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (2-bromothiazol-5-yl)methyl acetate
• CAS: 1039752-22-1
• 化学式: C₆H₆BrNO₂S
• 分子量: 236.089
• InChiKey: MKYQGHCSUCJQCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.97
• 重原子数：
  11.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  39.19
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (2-bromothiazol-5-yl)methyl acetate 、 2-乙炔噻唑 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 作用下， 反应 24.0h， 以16.9%的产率得到(2-(thiazol-2-ylethynyl)thiazol-5-yl)methyl acetate
  参考文献：
  名称：

  Ranging Correlated Motion (1.5 nm) of Two Coaxially Arranged Rotors Mediated by Helix Inversion of a Supramolecular Transmitter

  摘要：

  For a long-range transmission of motion between two movable parts apart from each other, transmitters that can precisely correlate these two motions should be properly incorporated into the system. However, such a motional relay is yet to be realized in artificial systems because of the lack of reliable methodologies for arranging a discrete number of motional parts. Herein, we report a correlated motion of two rotor molecules, which are coaxially arranged at a distance of 1.5 nm, through either Ag+- or Hg2+-assembled helical transmitters, leading to different frequencies of synchronized motion. A helix inversion in the transmitter was proven to strongly correlate the motions of both terminals. The X-ray analysis of the entity determined a quadruple-decker nonanuclear structure of the metal complex comprising two terminal rotor-like ligands closely attached to a central transmitter moiety. H-1 NMR analysis fully demonstrated the synchronized motion of the two rotors coaxially stacked and connected through the transmitter. Since the transmitter is composed of simple helical repeating units, the principle of helix inversion would be an efficient and widely applicable strategy for the long-range transmission of molecular motion.

  DOI：

  10.1021/ja8014583
• 作为产物：
  描述：

  2-溴噻唑-5-甲醇 、 乙酸酐 在 吡啶 作用下， 反应 3.0h， 以2.09 g的产率得到(2-bromothiazol-5-yl)methyl acetate
  参考文献：
  名称：

  Ranging Correlated Motion (1.5 nm) of Two Coaxially Arranged Rotors Mediated by Helix Inversion of a Supramolecular Transmitter

  摘要：

  For a long-range transmission of motion between two movable parts apart from each other, transmitters that can precisely correlate these two motions should be properly incorporated into the system. However, such a motional relay is yet to be realized in artificial systems because of the lack of reliable methodologies for arranging a discrete number of motional parts. Herein, we report a correlated motion of two rotor molecules, which are coaxially arranged at a distance of 1.5 nm, through either Ag+- or Hg2+-assembled helical transmitters, leading to different frequencies of synchronized motion. A helix inversion in the transmitter was proven to strongly correlate the motions of both terminals. The X-ray analysis of the entity determined a quadruple-decker nonanuclear structure of the metal complex comprising two terminal rotor-like ligands closely attached to a central transmitter moiety. H-1 NMR analysis fully demonstrated the synchronized motion of the two rotors coaxially stacked and connected through the transmitter. Since the transmitter is composed of simple helical repeating units, the principle of helix inversion would be an efficient and widely applicable strategy for the long-range transmission of molecular motion.

  DOI：

  10.1021/ja8014583