2-[3-(2-hydroxypropan-2-yl)-5,6-dihydro-4H-cyclopenta[c]thiophen-1-yl]propan-2-ol | 1035374-84-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 2-[3-(2-hydroxypropan-2-yl)-5,6-dihydro-4H-cyclopenta[c]thiophen-1-yl]propan-2-ol
• CAS: 1035374-84-5
• 化学式: C₁₃H₂₀O₂S
• 分子量: 240.367
• InChiKey: QVTBYIYBHZWPRK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.69
• 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：

  吡咯 、 2-[3-(2-hydroxypropan-2-yl)-5,6-dihydro-4H-cyclopenta[c]thiophen-1-yl]propan-2-ol 在 三氟化硼乙醚 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以81%的产率得到2-[2-[3-[2-(1H-pyrrol-2-yl)propan-2-yl]-5,6-dihydro-4H-cyclopenta[c]thiophen-1-yl]propan-2-yl]-1H-pyrrole
  参考文献：
  名称：

  Synthesis of Thiophene-Containing Hybrid Calixphyrins of the 5,10-Porphodimethene Type

  摘要：

  The synthesis, structure, and optical and electrochemical properties of thiophene-containing hybrid calixphyrins are reported. The 5,10-porphodimethene type 14 pi- and 16 pi-S,N(2),X-hybrid calixphyrins (X = NH, O, S) were prepared by acid-promoted dehydrative condensation between a thiatripyrrane and the corresponding 2,5-bis[hydroxy(phenyl)methyl]heteroles followed by DDQ oxidation. Both crystallographic and spectroscopic analyses of the newly prepared hybrid calixphyrins have revealed that the combination of heteroles explicitly influences the electronic structures of the pi-conjugated framework. The 14 pi-S,N(2),X-hybrid calixphyrins have proven to be fluorescent in solution.

  DOI：

  10.1021/jo800532n
• 作为产物：
  描述：

  diethyl 5,6-dihydro-4H-cyclopenta[c]thiophene-1,3-dicarboxylate 、 甲基溴化镁 以 四氢呋喃 为溶剂， 反应 1.0h， 以93%的产率得到2-[3-(2-hydroxypropan-2-yl)-5,6-dihydro-4H-cyclopenta[c]thiophen-1-yl]propan-2-ol
  参考文献：
  名称：

  Synthesis of Thiophene-Containing Hybrid Calixphyrins of the 5,10-Porphodimethene Type

  摘要：

  The synthesis, structure, and optical and electrochemical properties of thiophene-containing hybrid calixphyrins are reported. The 5,10-porphodimethene type 14 pi- and 16 pi-S,N(2),X-hybrid calixphyrins (X = NH, O, S) were prepared by acid-promoted dehydrative condensation between a thiatripyrrane and the corresponding 2,5-bis[hydroxy(phenyl)methyl]heteroles followed by DDQ oxidation. Both crystallographic and spectroscopic analyses of the newly prepared hybrid calixphyrins have revealed that the combination of heteroles explicitly influences the electronic structures of the pi-conjugated framework. The 14 pi-S,N(2),X-hybrid calixphyrins have proven to be fluorescent in solution.

  DOI：

  10.1021/jo800532n