1-(3,4-dimethylthieno[2,3-b]thiophen-2-yl)-2-(pyridin-4-yl)ethan-1-ol | 953392-88-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并噻吩类
• 英文名称: 1-(3,4-dimethylthieno[2,3-b]thiophen-2-yl)-2-(pyridin-4-yl)ethan-1-ol
• CAS: 953392-88-6
• 化学式: C₁₅H₁₅NOS₂
• 分子量: 289.422
• InChiKey: SJELBGPMVKWLJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.25
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  33.12
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1-(3,4-dimethylthieno[2,3-b]thiophen-2-yl)-2-(pyridin-4-yl)ethan-1-ol 在 对甲苯磺酸 作用下， 以 乙腈 、 苯 为溶剂， 反应 51.0h， 生成
  参考文献：
  名称：

  Optically transparent and thermally stable nonlinear optic chromophores featuring a thieno[2,3-b]thiophene donor

  摘要：

  A thieno[2,3-b] thiophene core has been utilized as a pi-donor component to design two series of push-pull thienothiophenes by introducing various acceptor groups either via olefinic or aza-spacers. The molecules show a UV-visible cut-off wavelength below the second harmonic generation (SHG) at lambda/2 of 532 nm, thereby conforming to the nonlinearity-transparency trade-off. Second order molecular nonlinearity, beta measured by Hyper-Rayleigh scattering technique was found in the range of 9.58-47.66x10(-30) esu, while the Kurtz powder technique produced signals of the order of 0.43-1.02 U. Thermal decomposition temperatures measured by differential scanning calorimetry revealed decomposition temperatures >= 275 degrees C, indicating high thermal stability. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.07.059
• 作为产物：
  描述：

  3,4-二甲基噻吩并噻吩 在 1,2-二氯乙烷 、 lithium diisopropyl amide 、 三氯氧磷 作用下， 以 四氢呋喃 为溶剂， 生成 1-(3,4-dimethylthieno[2,3-b]thiophen-2-yl)-2-(pyridin-4-yl)ethan-1-ol
  参考文献：
  名称：

  Optically transparent and thermally stable nonlinear optic chromophores featuring a thieno[2,3-b]thiophene donor

  摘要：

  A thieno[2,3-b] thiophene core has been utilized as a pi-donor component to design two series of push-pull thienothiophenes by introducing various acceptor groups either via olefinic or aza-spacers. The molecules show a UV-visible cut-off wavelength below the second harmonic generation (SHG) at lambda/2 of 532 nm, thereby conforming to the nonlinearity-transparency trade-off. Second order molecular nonlinearity, beta measured by Hyper-Rayleigh scattering technique was found in the range of 9.58-47.66x10(-30) esu, while the Kurtz powder technique produced signals of the order of 0.43-1.02 U. Thermal decomposition temperatures measured by differential scanning calorimetry revealed decomposition temperatures >= 275 degrees C, indicating high thermal stability. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.07.059