C6(thiazolyl)5(C3HNS(CH2OH)) | 1039752-16-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: C6(thiazolyl)5(C3HNS(CH2OH))
• 英文别名: [2-[2,3,4,5,6-Pentakis(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-5-yl]methanol；[2-[2,3,4,5,6-pentakis(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-5-yl]methanol
• CAS: 1039752-16-3
• 化学式: C₂₅H₁₄N₆OS₆
• 分子量: 606.822
• InChiKey: DXECJWWYAPSAKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  38
• 可旋转键数：
  7
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  267
• 氢给体数：
  1
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  C6(oxazolinyl)3(oxazolinylphenyl)3 、 C6(thiazolyl)5(C3HNS(CH2OH)) 、 silver trifluoromethanesulfonate 以 氘代甲醇 为溶剂， 生成 [Ag9(C6(oxazolinyl)3(oxazolinylphenyl)3)2(C6(thiazolyl)5(C3HNSCH2OH))2](OTf)9
  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：

  在 甲醇 、 sodium methylate 作用下， 反应 1.0h， 以104 mg的产率得到C6(thiazolyl)5(C3HNS(CH2OH))
  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

文献信息

• A synthetic approach to a molecular crank mechanism: toward intramolecular motion transformation between rotation and translation
  作者：Erika Okuno、Shuichi Hiraoka、Mitsuhiko Shionoya

  DOI：10.1039/b926154k

  日期：——

  A molecular crank mechanism that enables transformation between rotational and translational motions was designed and synthesized. This molecule consists of a molecular ball bearing as the rotational part in which two disk-shaped rotors can rotate relative to each other through ligand exchange and flipping motion, and a [2]rotaxane as a translational part in which an axle molecule can move back-and-forth

  设计并合成了一种能够在旋转运动和平移运动之间进行转换的分子曲柄机制。该分子由分子球轴承作为旋转部分，其中两个盘形转子可以通过配体交换和翻转运动相对彼此旋转，而[2]轮烷作为平移部分，其中轴分子可以向后移动。通过冠醚基大环的空腔来回移动。1 H NMR分析表明这两个运动相互影响。