4-(4-Hydroxy-6-methyl-pyrimidin-2-ylsulfanyl)-butyric acid ethyl ester | 340016-22-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4-(4-Hydroxy-6-methyl-pyrimidin-2-ylsulfanyl)-butyric acid ethyl ester
• 英文别名: ethyl 4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoate
• CAS: 340016-22-0
• 化学式: C₁₁H₁₆N₂O₃S
• 分子量: 256.326
• InChiKey: NJKLRESTTJKURD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  93.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(4-Hydroxy-6-methyl-pyrimidin-2-ylsulfanyl)-butyric acid ethyl ester 在 sodium 、 sodium carbonate 作用下， 以 四氢呋喃 、 甲醇 、 乙腈 为溶剂， 反应 3.0h， 生成 4-({4-[(diethoxyphosphorothioyl)oxy]-6-methylpyrimidin-2-yl}thio)butanoic acid
  参考文献：
  名称：

  Assessment of Novel Diazinon Immunoassays for Water Analysis

  摘要：

  Diazinon is a broad organophosphate insecticide used in agricultural and other treatments, resulting in widespread water contamination. The development of easy-to-use screening immunoanalytical methods is an interesting tool to study environmental pollution impact. Two novel strategies for diazinon hapten synthesis are addressed. One of them attaches the spacer arm to the oxygen atom of the diazinon aromatic ring. The other one retains the diazinon basic structure linking the spacer to an aromatic carbon. A total of eight diazinon haptens were synthesized, demonstrating that they are suitable for immunoreagent (protein conjugates and polyclonal antibodies) production. The optimized ELISA is based on conjugate-coated format and had a detection limit of 0.40 mug/L, showing little or no cross-reactivity to similar tested compounds. The immunoassays were used as a tool to quantify diazinon in natural waters. Results are in agreement with those given by GC-MS reference method. Mean recoveries ranging between 99% and 105% confirm the potential of our approach to determine diazinon in samples without purification or preconcentration steps, being applied as a screening method for field monitoring of diazinon in river waters.

  DOI：

  10.1021/es034892p
• 作为产物：
  描述：

  甲基硫脲嘧啶 、 4-溴丁酸乙酯 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 2.5h， 以76%的产率得到4-(4-Hydroxy-6-methyl-pyrimidin-2-ylsulfanyl)-butyric acid ethyl ester
  参考文献：
  名称：

  Assessment of Novel Diazinon Immunoassays for Water Analysis

  摘要：

  Diazinon is a broad organophosphate insecticide used in agricultural and other treatments, resulting in widespread water contamination. The development of easy-to-use screening immunoanalytical methods is an interesting tool to study environmental pollution impact. Two novel strategies for diazinon hapten synthesis are addressed. One of them attaches the spacer arm to the oxygen atom of the diazinon aromatic ring. The other one retains the diazinon basic structure linking the spacer to an aromatic carbon. A total of eight diazinon haptens were synthesized, demonstrating that they are suitable for immunoreagent (protein conjugates and polyclonal antibodies) production. The optimized ELISA is based on conjugate-coated format and had a detection limit of 0.40 mug/L, showing little or no cross-reactivity to similar tested compounds. The immunoassays were used as a tool to quantify diazinon in natural waters. Results are in agreement with those given by GC-MS reference method. Mean recoveries ranging between 99% and 105% confirm the potential of our approach to determine diazinon in samples without purification or preconcentration steps, being applied as a screening method for field monitoring of diazinon in river waters.

  DOI：

  10.1021/es034892p