氢氯吡格雷杂质 | 131202-62-5

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 中文名称: 氢氯吡格雷杂质
• 英文名称: di-(hydroxylethyl)-2,5 thiophene
• 英文别名: 2,2′-(thiophene-2,5-diyl)diethanol；2,5-bis-(2-hydroxy-ethyl)-thiophene；2,5-Bis-(2-hydroxy-aethyl)-thiophen；2,5-Thiophenediethanol；2-[5-(2-hydroxyethyl)thiophen-2-yl]ethanol
• CAS: 131202-62-5
• 化学式: C₈H₁₂O₂S
• 分子量: 172.248
• InChiKey: WPPRARSFPKXSAP-UHFFFAOYSA-N

物化性质

• 沸点：
  140-160 °C(Press: 3 Torr)
• 密度：
  1.234±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  68.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  氢氯吡格雷杂质 、 异氰酸苯酯 生成 2,5-bis-(2-phenylcarbamoyloxy-ethyl)-thiophene
  参考文献：
  名称：

  Gol'dfarb; Kirmalowa, Zhurnal Obshchei Khimii, 1955, vol. 25, p. 1373,1374; engl. Ausg. S. 1321, 1322

  摘要：

  DOI：
• 作为产物：
  描述：

  环氧乙烷 、 2,5-二溴噻吩 在 叔丁基锂 作用下， 以 四氢呋喃 、 正戊烷 为溶剂， 反应 16.5h， 以47%的产率得到氢氯吡格雷杂质
  参考文献：
  名称：

  Controlling the Thermoelectric Properties of Thiophene-Derived Single-Molecule Junctions

  摘要：

  Thermoelectrics are famously challenging to optimize, because of inverse coupling of the Seebeck coefficient and electrical conductivity, both of which control the thermoelectric power factor. Inorganic-organic interfaces provide a promising route for realization of the strong electrical and thermal asymmetries required for thermoelectrics. In this work, transport properties of inorganic-organic interfaces are probed and understood at the molecular scale using the STM-break junction measurement technique, theory, and a class of newly synthesized molecules. We synthesized a series of disubstituted thiophene derivatives varying the length of alkylthio-linkers and the number of thiophene rings. These molecules allow the systematic tuning of electronic resonances within the junction. We observed that these molecules have a decreasing Seebeck coefficient with increasing length of the alkyl chain, while oligothiophene junctions show an increasing Seebeck coefficient with length. We find that thiophene-Au junctions have significantly higher Seebeck coefficients, compared to benzenedithiol (in the range of 7-15 mu V/K). A minimal tight-binding model, including a gateway state associated with the S-Au bond, captures and explains both trends. This work identifies S-Au gateway states as being important and potentially tunable features of junction electronic structure for enhancing the power factor of organic/inorganic interfaces.

  DOI：

  10.1021/cm504254n

文献信息

• Garrigues, Bernard, Phosphorus, Sulfur and Silicon and the Related Elements, 1990, vol. 53, # 1-4, p. 75 - 79
  作者：Garrigues, Bernard

  DOI：——

  日期：——