2,4-二噻吩-2-基噻吩 | 21732-47-8

• 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
• 中文名称: 2,4-二噻吩-2-基噻吩
• 英文名称: 2,4-di(2'-thienyl)thiophene
• 英文别名: 2,2':4',2''-Terthiophene；2,4-dithiophen-2-ylthiophene
• CAS: 21732-47-8
• 化学式: C₁₂H₈S₃
• 分子量: 248.394
• InChiKey: DNAIRPZIPJONCV-UHFFFAOYSA-N

物化性质

• 熔点：
  53-54 °C (decomp)
• 沸点：
  337.9±32.0 °C(Predicted)
• 密度：
  1.318±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  84.7
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090

反应信息

• 作为产物：
  描述：

  2-氯乙酰噻吩 在 水 、 sodium thiosulfate 作用下， 生成 2,4-二噻吩-2-基噻吩
  参考文献：
  名称：

  The Synthesis of Di- and Terthienyls^1,2

  摘要：

  DOI：

  10.1021/ja01565a058

文献信息

• Attempted Simmon–Smith reaction on β-alkylthio-α,β-unsaturated ketones: a regiospecific synthesis of 2,4-disubstituted thiophenes
  作者：Toreshettahally R. Swaroop、Rangaswamy Roopashree、Hiriyakkanavar Ila、Kanchugarakoppal S. Rangappa

  DOI：10.1016/j.tetlet.2012.10.110

  日期：2013.1

  A new regiospecific route to 2,4-disubstituted thiophenes has been developed through Simmon-Smith reaction on beta-methylthio-alpha,beta-unsaturated ketones. Extension of the reaction to beta-ethylibenzylthio-alpha,beta-unsaturated ketones also gave the corresponding 2,4-disubstituted thiophenes in a regiospecific manner. A probable mechanism involving a carbenoid methylene insertion to divalent sulfur followed by intramolecular aldol condensation has been suggested.[GRAPHICS](C) 2012 Elsevier Ltd. All rights reserved.
• SILICON-BASED ENERGY STORAGE DEVICES WITH FUNCTIONAL THIOPHENE COMPOUNDS OR DERIVATIVES OF THIOPHENE CONTAINING ELECTROLYTE ADDITIVES
  申请人：Enevate Corporation

  公开号：US20200388881A1

  公开（公告）日：2020-12-10

  Electrolytes and electrolyte additives for energy storage devices comprising functional thiophene compounds are disclosed. The energy storage device comprises a first electrode and a second electrode, wherein at least one of the first electrode and the second electrode is a Si-based electrode, a separator between the first electrode and the second electrode, an electrolyte, and at least one electrolyte additive selected from a thiophene compound.
• Curtis et al., Journal of the Chemical Society [Section] C: Organic, 1971, p. 234,237
  作者：Curtis et al.

  DOI：——

  日期：——
• The Synthesis of Di- and Terthienyls^1,2
  作者：Hans Wynberg、A. Logothetis、D. VerPloeg

  DOI：10.1021/ja01565a058

  日期：1957.4