3-(3-Methylthiophen-2-yl)-1,5-dipyridin-2-ylpentane-1,5-dione | 1263305-65-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(3-Methylthiophen-2-yl)-1,5-dipyridin-2-ylpentane-1,5-dione
• 英文别名: 3-(3-methylthiophen-2-yl)-1,5-dipyridin-2-ylpentane-1,5-dione
• CAS: 1263305-65-2
• 化学式: C₂₀H₁₈N₂O₂S
• 分子量: 350.441
• InChiKey: UUALMIOTXHJPTF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  88.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(3-Methylthiophen-2-yl)-1,5-dipyridin-2-ylpentane-1,5-dione 在 ammonium acetate 作用下， 以 乙醇 为溶剂， 反应 18.0h， 以1.67 g的产率得到4'-[3-methylthiophen-2-yl]-2,2';6',2''-terpyridine
  参考文献：
  名称：

  Synthesis and photophysical properties of α,ω-bis(terpyridine)oligothiophenes

  摘要：

  Four novel fully pi-conjugated alpha,omega-bis(terpyridine)oligothiophenes characterized by NMR, IR, and HR-mass spectroscopy are presented and their electronic absorption/emission and redox properties are described based on both experiments and theoretical calculations. These compounds can be potentially utilized as building blocks for preparation of conjugated metallo-supramolecular polymers or dynamers and related functional materials. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.11.039
• 作为产物：
  描述：

  2-乙酰基吡啶 、 3-甲基噻吩醛 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 生成 3-(3-Methylthiophen-2-yl)-1,5-dipyridin-2-ylpentane-1,5-dione
  参考文献：
  名称：

  Synthesis and photophysical properties of α,ω-bis(terpyridine)oligothiophenes

  摘要：

  Four novel fully pi-conjugated alpha,omega-bis(terpyridine)oligothiophenes characterized by NMR, IR, and HR-mass spectroscopy are presented and their electronic absorption/emission and redox properties are described based on both experiments and theoretical calculations. These compounds can be potentially utilized as building blocks for preparation of conjugated metallo-supramolecular polymers or dynamers and related functional materials. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.11.039

文献信息

• Synthesis and photophysical properties of α,ω-bis(terpyridine)oligothiophenes
  作者：Jan Svoboda、Pavla Štenclová、Filip Uhlík、Jiří Zedník、Jiří Vohlídal

  DOI：10.1016/j.tet.2010.11.039

  日期：2011.1

  Four novel fully pi-conjugated alpha,omega-bis(terpyridine)oligothiophenes characterized by NMR, IR, and HR-mass spectroscopy are presented and their electronic absorption/emission and redox properties are described based on both experiments and theoretical calculations. These compounds can be potentially utilized as building blocks for preparation of conjugated metallo-supramolecular polymers or dynamers and related functional materials. (C) 2010 Elsevier Ltd. All rights reserved.