2-噻吩-2-基苯甲酸乙酯 | 6072-48-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-噻吩-2-基苯甲酸乙酯
• 英文名称: 2-thiophen-2-yl-benzoic acid ethyl ester
• 英文别名: ethyl 2-(thiophen-2-yl)benzoate；Ethyl 2-thien-2-ylbenzoate；ethyl 2-thiophen-2-ylbenzoate
• CAS: 6072-48-6
• 化学式: C₁₃H₁₂O₂S
• mdl: MFCD06205188
• 分子量: 232.303
• InChiKey: YEZCHNWSAPLQBB-UHFFFAOYSA-N

物化性质

• 沸点：
  110 °C

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.153
• 拓扑面积：
  54.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  2-噻吩-2-基苯甲酸乙酯 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 2-bromo-4,4-di-p-tolyl-4H-indeno[1,2-b]thiophene
  参考文献：
  名称：

  Modulation of Physical Properties of Ter(9,9-ditolylfluorene) by Backbone-Embedded Heteroarenes

  摘要：

  Novel ter(9,9-ditolylfluorene) analogues containing thiophene and pyridine rings embedded as functional constituents within the parent hydrocarbon backbone have been synthesized. These new molecules exhibit highly efficient photoluminescence and high thermal and morphological stability. The electronic structure of the terfluorene backbone is significantly perturbed, which allows modulation of the backbone energy levels.

  DOI：

  10.1021/ol060183f
• 作为产物：
  描述：

  2-溴噻吩 、 2-碘苯甲酸乙酯, 在 四(三苯基膦)钯 碘 、 magnesium 、 zinc(II) chloride 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以82%的产率得到2-噻吩-2-基苯甲酸乙酯
  参考文献：
  名称：

  Modulation of Physical Properties of Ter(9,9-ditolylfluorene) by Backbone-Embedded Heteroarenes

  摘要：

  Novel ter(9,9-ditolylfluorene) analogues containing thiophene and pyridine rings embedded as functional constituents within the parent hydrocarbon backbone have been synthesized. These new molecules exhibit highly efficient photoluminescence and high thermal and morphological stability. The electronic structure of the terfluorene backbone is significantly perturbed, which allows modulation of the backbone energy levels.

  DOI：

  10.1021/ol060183f

文献信息

• Water-Promoted Reaction of C₆₀Ar₅Cl Compounds with Thiophenes Delivers a Family of Multifunctional Fullerene Derivatives with Selective Antiviral Properties
  作者：Olga A. Kraevaya、Valeriya S. Bolshakova、Alexander S. Peregudov、Alexander V. Chernyak、Nikita A. Slesarenko、Vitaliy Yu. Markov、Natalia S. Lukonina、Vyacheslav M. Martynenko、Ekaterina O. Sinegubova、Alexander F. Shestakov、Vladimir V. Zarubaev、Dominique Schols、Pavel A. Troshin

  DOI：10.1021/acs.orglett.1c02623

  日期：2021.9.17

  reaction of the fullerene derivatives C60Ar5Cl, which enables the substitution of Cl with thiophene residues and the formation of the novel family of C1-symmetrical C60 fullerene derivatives with six functional addends C60Ar5Th. The discovered reaction provided a straightforward approach to the synthesis of previously inaccessible multifunctional water-soluble fullerene derivatives, including the compounds

  在这里，我们报道了富勒烯衍生物 C 60 Ar 5 Cl 的反应，该反应能够用噻吩残基取代 Cl 并形成具有六个功能加成 C 60 Ar 5 Th的新型C 1 -对称 C 60富勒烯衍生物家族。发现的反应为合成以前无法获得的多功能水溶性富勒烯衍生物提供了一种直接的方法，包括对人类免疫缺陷和流感病毒具有抗病毒活性的化合物。
• Arylzinc species by microwave assisted Grignard formation–transmetallation sequence: application in the Negishi coupling
  作者：Ilga Mutule、Edgars Suna

  DOI：10.1016/j.tet.2005.09.022

  日期：2005.11
• Structural effects on the hole mobilities of indenothiophene-embedded homologs
  作者：Teng-Chih Chao、Ken-Tsung Wong、Wen-Yi Hung、Tei-Hung Hou、Wei-Jiun Chen

  DOI：10.1016/j.tetlet.2009.02.148

  日期：2009.7

  A systematic study of the relationship between the structures and the non-dispersive hole mobilities (Lip to 10(-3) cm(2) V-1 s(-1)) of a homologous series of amorphous indenothiophene-containing materials is described. The hole mobilities were dependent mainly on the length and rigidity of the pi-conjugated backbone and the peripheral substituents. (C) 2009 Elsevier Ltd. All rights reserved.
• Modulation of Physical Properties of Ter(9,9-ditolylfluorene) by Backbone-Embedded Heteroarenes
  作者：Ken-Tsung Wong、Tsyr-Yuan Hwu、Akula Balaiah、Teng-Chih Chao、Fu-Chuan Fang、Ching-Tien Lee、Ying-Chu Peng

  DOI：10.1021/ol060183f

  日期：2006.3.1

  Novel ter(9,9-ditolylfluorene) analogues containing thiophene and pyridine rings embedded as functional constituents within the parent hydrocarbon backbone have been synthesized. These new molecules exhibit highly efficient photoluminescence and high thermal and morphological stability. The electronic structure of the terfluorene backbone is significantly perturbed, which allows modulation of the backbone energy levels.