sodium 3-thienylacetate | 149698-19-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: sodium 3-thienylacetate
• 英文别名: 3-thiopheneacetic acid sodium salt；sodium 2-(thiophen-3-yl)acetate；sodium 3-thiopheneacetate；Na(tpac)；Sodium 3-thiophenacetate；sodium;2-thiophen-3-ylacetate
• CAS: 149698-19-1
• 化学式: C₆H₅O₂S*Na
• 分子量: 164.16
• InChiKey: OGOAIZAVJQMMGQ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.96
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  68.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  、 sodium 3-thienylacetate 在 乙酸酐 作用下， 反应 2.0h， 以46%的产率得到3-[2,6-Bis(2-bromophenyl)-4-(4-methylphenyl)phenyl]thiophene
  参考文献：
  名称：

  苯乙炔基取代的多环芳族化合物的合成与聚集

  摘要：

  DOI：

  10.1021/ma048728d
• 作为产物：
  描述：

  3-噻吩乙酸 在 sodium hydroxide 作用下， 以 水 为溶剂， 生成 sodium 3-thienylacetate
  参考文献：
  名称：

  Direct synthetic route for water-dispersible polythiophene nanoparticles via surfactant-free oxidative polymerization

  摘要：

  Water-dispersible poly(thiophene-co-3-thiopheneacetic acid) (PThTA) nanoparticles were successfully prepared by Fe3+-catalyzed oxidative polymerization in the absence of a surfactant. This facile method adopted the recyclable FeCl3/H2O2 initiator couple to yield a high conversion of approximately 97%, and the sodium salt of 3-thiopheneacetic acid (TA) was used for the colloidal stability of the PThTA nanoparticles. The particle formation and growth of PThTA were examined with photoluminescence (PL) spectroscopy and time-evolution variation of the particle number in the early period of polymerization. The final average particle size of PThTA was 320 nm, measured by dynamic light scattering (DLS). The number-average molecular weight of PThTA was about 2 x 10(4) g/mol. The light-emitting properties of the PThTA nanoparticles in an emulsion state were studied with UV-vis absorption and PL spectroscopy, and it was found that the quantum efficiency increased from 1.43 to 3.22 with the polymerization time at an excitation wavelength of 405 nm. Our results provide new insights on surfactant-free oxidative polymerization and may serve as guidelines for the preparation of new conjugated polymer emulsion systems for potential optoelectronic devices. (C) 2014 The Authors. Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.polymer.2013.12.056

文献信息

• Intramolecular ferro- and antiferromagnetic interactions in oxo-carboxylate bridged digadolinium(iii) complexes
  作者：Laura Cañadillas-Delgado、Oscar Fabelo、Jorge Pasán、Fernando S. Delgado、Francesc Lloret、Miguel Julve、Catalina Ruiz-Pérez

  DOI：10.1039/b920156d

  日期：——

  carboxylate-oxygen atoms from four pac (1)/tpac (2) ligands and two water molecules (1 and 2) building a distorted monocapped square antiprism. The values of the intramolecular gadolinium–gadolinium separation are 4.1215(5) (1), 4.1255(6) (2) and 4.1589(3) Å (3) and those of the angle at the oxo-carboxylate bridge (θ) are 113.16(13) (1), 112.5(2) (2) and 115.47(7)° (3). Magnetic susceptibility measurements in

  两个新 地高辛（III） 与复合物 一元羧酸盐配体[Gd 2（pac）6（H 2 O）4 ]（1）和[Gd 2（tpac）6（H 2 O）4 ]（2）（Hpac =戊酸 和 Htpac = 3-噻吩乙酸），已经制备并且通过在单晶上的X射线衍射确定了它们的结构。它们的结构包括中性和孤立地高辛（III） 单位，包含六个 一元羧酸盐 配体和四个协调 水分子，桥接骨架由μ正在修建Ô（1）：κ 2 Ó（1）ø（2）的框架。母体中已经观察到这种结构模式醋酸盐含[Gd 2（ac）6（H 2 O）4 ]·4H 2 O（3）的化合物，其结构和磁性能在其他地方已有报道（L.Cañadillas-Delgado，Ø。Fabelo，J.Cano，J.Pasán，F。S. Delgado，M。Julve，F。滨海略和C.鲁伊斯-佩雷斯，CrystEngComm，2009，11，2131）。每个lin（III）1和2
• Synthesis and Aggregates of Phenylene−Ethynylene Substituted Polycyclic Aromatic Compounds
  作者：Xiao Hong Cheng、Stefan-Sven Jester、Sigurd Höger

  DOI：10.1021/ma048728d

  日期：2004.9.1
• Direct synthetic route for water-dispersible polythiophene nanoparticles via surfactant-free oxidative polymerization
  作者：Hyun Woog Ryu、Yong Seok Kim、Jung Hyun Kim、In Woo Cheong

  DOI：10.1016/j.polymer.2013.12.056

  日期：2014.2

  Water-dispersible poly(thiophene-co-3-thiopheneacetic acid) (PThTA) nanoparticles were successfully prepared by Fe3+-catalyzed oxidative polymerization in the absence of a surfactant. This facile method adopted the recyclable FeCl3/H2O2 initiator couple to yield a high conversion of approximately 97%, and the sodium salt of 3-thiopheneacetic acid (TA) was used for the colloidal stability of the PThTA nanoparticles. The particle formation and growth of PThTA were examined with photoluminescence (PL) spectroscopy and time-evolution variation of the particle number in the early period of polymerization. The final average particle size of PThTA was 320 nm, measured by dynamic light scattering (DLS). The number-average molecular weight of PThTA was about 2 x 10(4) g/mol. The light-emitting properties of the PThTA nanoparticles in an emulsion state were studied with UV-vis absorption and PL spectroscopy, and it was found that the quantum efficiency increased from 1.43 to 3.22 with the polymerization time at an excitation wavelength of 405 nm. Our results provide new insights on surfactant-free oxidative polymerization and may serve as guidelines for the preparation of new conjugated polymer emulsion systems for potential optoelectronic devices. (C) 2014 The Authors. Published by Elsevier Ltd. All rights reserved.