3,3',3''-trimethyl-2,2':5',2''-terthienyl | 109967-94-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 双噻吩和低聚噻吩
• 英文名称: 3,3',3''-trimethyl-2,2':5',2''-terthienyl
• 英文别名: 3-Methyl-2,5-bis(3-methylthiophen-2-yl)thiophene
• CAS: 109967-94-4
• 化学式: C₁₅H₁₄S₃
• 分子量: 290.474
• InChiKey: RWEWXQGKLKUAHK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  84.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2,5-二溴-3-甲基噻吩 、 magnesium,3-methyl-2H-thiophen-2-ide,bromide 在 1,3-bis[(diphenylphosphino)propane]dichloronickel(II) 作用下， 以 乙醚 为溶剂， 反应 16.0h， 以76%的产率得到3,3',3''-trimethyl-2,2':5',2''-terthienyl
  参考文献：
  名称：

  Pham, Chiem Van; Burkhardt, A.; Shabana, R., Phosphorus, Sulfur and Silicon and the Related Elements, 1989, vol. 46, p. 153 - 168

  摘要：

  DOI：

文献信息

• Approaching the Integer‐Charge Transfer Regime in Molecularly Doped Oligothiophenes by Efficient Decarboxylative Cross‐Coupling
  作者：Jiang Tian Liu、Hannes Hase、Sarah Taylor、Ingo Salzmann、Pat Forgione

  DOI：10.1002/anie.201914458

  日期：2020.4.27

  A library of symmetrical linear oligothiophene was prepared employing decarboxylative cross-coupling reaction as the key transformation. Thiophene potassium carboxylate salts were used as cross-coupling partners without the need of co-catalyst, base, or additives. This method demonstrates complete chemoselectivity and is a comprehensive greener approach compared to the existing methods. The modularity

  使用脱羧交叉偶联反应作为关键转化制备了对称的线性低聚噻吩文库。噻吩羧酸钾盐用作交叉偶联伙伴，而无需助催化剂，碱或添加剂。与现有方法相比，该方法显示出完全的化学选择性，是一种更全面的绿色方法。通过制备具有最多10个噻吩重复单元的谨慎的寡聚噻吩，可以证明这种方法的模块化。对称的低聚噻吩是典型的有机半导体，可以通过光谱评估其分子电掺杂随链长的变化。观察到整数电荷转移的低聚噻吩临界长度为10个噻吩单元，
• COMPOUNDS WITH TERMINAL HETEROARYLCYANOVINYLENE GROUPS AND THEIR USE IN ORGANIC SOLAR CELLS
  申请人：BASF SE

  公开号：US20160248021A1

  公开（公告）日：2016-08-25

  The present invention relates to a photoactive material comprising a donor substance and an acceptor substance, wherein the donor substance comprises or consists of one or more compounds of formula (I) described herein, or the acceptor substance comprises or consists of one or more compounds of formula (I) described herein, or the donor sub stance comprises or consists of a first compound of formula (I) described herein and the acceptor substance comprises a second compound of formula (I) described herein with the proviso that the first and second compound are not the same, as well as to an organic solar cell comprising said photoactive material. The present invention also relates to a photoelectric conversion device comprising or consisting of two or more organic solar cells comprising said photoactive material and to compounds of formula (I) as described herein for use as donor substance or as acceptor substance in a photoactive material. Further, the present invention relates to the use of a compound of formula (III) as described herein in the synthesis of a compound of formula (I) as described herein.

  本发明涉及一种光活性材料，包括给体物质和受体物质，其中，给体物质包括或由本文所述的一个或多个式(I)化合物组成，或受体物质包括或由本文所述的一个或多个式(I)化合物组成，或给体物质由本文所述的第一种式(I)化合物组成或构成，受体物质由本文所述的第二种式(I)化合物组成，但第一和第二种化合物不相同。此外，本发明还涉及包含该光活性材料的有机太阳能电池，以及由该光活性材料组成的两个或更多有机太阳能电池的光电转换装置。本发明还涉及用于光活性材料中的给体物质或受体物质的式(I)化合物，以及本文所述的式(III)化合物在合成本文所述的式(I)化合物中的使用。
• VAN, PHAM CHIEM;BURKHARDT, A.;SHABANA, R.;CUNNINGHAM, DAVID D.;MARK, HARR+, PHOSPH., SULFUR AND SILICON AND RELAT. ELEM., 46,(1989) N-4, C. 153-168
  作者：VAN, PHAM CHIEM、BURKHARDT, A.、SHABANA, R.、CUNNINGHAM, DAVID D.、MARK, HARR+

  DOI：——

  日期：——
• US9917260B2
  申请人：——

  公开号：US9917260B2

  公开（公告）日：2018-03-13
• [EN] COMPOUNDS WITH TERMINAL HETEROARYLCYANOVINYLENE GROUPS AND THEIR USE IN ORGANIC SOLAR CELLS<br/>[FR] COMPOSÉS PRÉSENTANT DES GROUPES TERMINAUX HÉTÉROARYLCYANOVINYLÈNE ET LEUR UTILISATION DANS DES CELLULES SOLAIRES ORGANIQUES
  申请人：BASF SE

  公开号：WO2015024848A1

  公开（公告）日：2015-02-26

  The present invention relates to a photoactive material comprising a donor substance and an acceptor substance, wherein the donor substance comprises or consists of one or more compounds of formula (I) described herein, or the acceptor substance comprises or consists of one or more compounds of formula (I) described herein, or the donor sub¬ stance comprises or consists of a first compound of formula (I) described herein and the acceptor substance comprises a second compound of formula (I) described herein with the proviso that the first and second compound are not the same, as well as to an organic solar cell comprising said photoactive material. The present invention also relates to a photoelectric conversion device comprising or consisting of two or more organic solar cells comprising said photoactive material and to compounds of formula (I) as described herein for use as donor substance or as acceptor substance in a photoactive material. Further, the present invention relates to the use of a compound of formula (III) as described herein in the synthesis of a compound of formula (I) as described herein.