1-(2-furoyl)-3-(2-hydroxyethyl)thiourea | 211876-22-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• 英文名称: 1-(2-furoyl)-3-(2-hydroxyethyl)thiourea
• 英文别名: 1-furoyl-3-(2-hydroxyethyl)thiourea；N-(2-hydroxyethylcarbamothioyl)furan-2-carboxamide
• CAS: 211876-22-1
• 化学式: C₈H₁₀N₂O₃S
• mdl: MFCD06328086
• 分子量: 214.245
• InChiKey: AEMDGYSWZXRVFK-UHFFFAOYSA-N

物化性质

• 密度：
  1.365±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  107
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  呋喃甲酰氯 在 polyethylene glycol-600 (PEG-600) 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 1-(2-furoyl)-3-(2-hydroxyethyl)thiourea
  参考文献：
  名称：

  Synthesis of N—Aroyl—N′—hydroxyethyl (Hydroxyphenyl) Thiourea Derivatives Under the Condition of Phase Transfer Catalysis

  摘要：

  Reaction of aminoethanol. or aminophenol with aroyl chloride and ammonium thiocyanate under the condition of solid-liquid phase transfer catalysis using polyethylene glycol-600 (PEG-600) as the catalyst yielded N-aroyl-N'-hydroxyethyl (hydroxy phenyl) thiourea derivatives.The products have been characterised on the basis of analytical and spectral(IR and 'H-NMR)data.

  DOI：

  10.1080/00397919808004862

文献信息

• Aroylthioureas: new organic ionophores for heavy-metal ion selective electrodes
  作者：Elena Otazo-Sánchez、Leonel Pérez-Marín、Osvaldo Estévez-Hernández、Susana Rojas-Lima、Julián Alonso-Chamarro

  DOI：10.1039/b102029n

  日期：——

  Thiourea derivatives (46 aroylthioureas) having different substituents close to the sulfur atom were synthesized and their ionophore potential in ion selective electrodes (ISEs) was examined. Structural considerations were taken into account based on the corresponding heavy-metal ISE parameters. As ionophores, some 1-furoyl-3-substituted thioureas (series 2) gave the best results in Pb(II), Hg(II) and Cd(II) ISEs. The strong intramolecular hydrogen bond in series 2 allows ligand interaction only through the CS group. Substituents on the furan and phenyl rings give rise to low solubility in the membrane plasticizer. 3-Alkyl substituted furoylthioureas improve solubility but enhance oxidative processes with chain length. New X-ray diffraction (XRD) structures and theoretical DFT calculations were considered in the analysis of the substituent influence on the selectivity of ISEs. These new ionophores have advantages because of their stability, simple synthesis and easy modification of the sulfur binding ability resulting from substitution.

  合成了46种不同取代基的噻唑衍生物（芳酰噻唑），并研究了它们在离子选择电极（ISEs）中的离子载体潜力。根据相应的重金属ISE参数，考虑了结构因素。作为离子载体，某些1-呋喃酰基-3-取代噻唑（系列2）在Pb(II)、Hg(II)和Cd(II) ISE中表现出最佳性能。系列2中的强内氢键使得配体只能通过CS基团进行相互作用。呋喃和苯环上的取代基导致在膜增塑剂中溶解度低。3-烷基取代的呋喃酰噻唑提高了溶解度，但随着链长的增加增强了氧化过程。在分析取代基对ISE选择性的影响时，考虑了新的X射线衍射（XRD）结构和理论DFT计算。这些新离子载体因其稳定性、简单合成和由于取代改变硫结合能力的易修改性而具有优势。
• Synthesis of N—Aroyl—N′—hydroxyethyl (Hydroxyphenyl) Thiourea Derivatives Under the Condition of Phase Transfer Catalysis
  作者：Taibao Wei、Youming Zhang

  DOI：10.1080/00397919808004862

  日期：1998.8

  Reaction of aminoethanol. or aminophenol with aroyl chloride and ammonium thiocyanate under the condition of solid-liquid phase transfer catalysis using polyethylene glycol-600 (PEG-600) as the catalyst yielded N-aroyl-N'-hydroxyethyl (hydroxy phenyl) thiourea derivatives.The products have been characterised on the basis of analytical and spectral(IR and 'H-NMR)data.