4-苯基-1,3,5-三嗪-2-硫醇 | 370077-73-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: 4-苯基-1,3,5-三嗪-2-硫醇
• 英文名称: Methyl [(4,6-Dihydroxypyrimidin-2-yl)thio]acetate
• 英文别名: methyl 2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate
• CAS: 370077-73-9
• 化学式: C₇H₈N₂O₄S
• mdl: MFCD00489772
• 分子量: 216.218
• InChiKey: NHTKWLXNQXSJMG-UHFFFAOYSA-N

物化性质

• 密度：
  1.56±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.285
• 拓扑面积：
  113
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  4-苯基-1,3,5-三嗪-2-硫醇 在 双氧水 、 溶剂黄146 、 N,N-二乙基苯胺 、 三氯氧磷 作用下， 反应 24.0h， 生成 methyl 2-((4,6-dichloropyrimidin-2-yl)sulfinyl)acetate
  参考文献：
  名称：

  Continuous flow biocatalytic resolutions of methyl sulfinylacetates

  摘要：

  Product inhibition was encountered for some substrates in the resolution of methyl sulfinylacetates mediated by lipase Amano AK, so an apparatus to continually extract the carboxylate product was devised. This was applied to resolve some sulfoxides with high enantiodifferentiation. (C) 2011 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2011.09.024
• 作为产物：
  描述：

  氯乙酸甲酯 、 2-Thiobarbituric acid 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 12.0h， 以85%的产率得到4-苯基-1,3,5-三嗪-2-硫醇
  参考文献：
  名称：

  Continuous flow biocatalytic resolutions of methyl sulfinylacetates

  摘要：

  Product inhibition was encountered for some substrates in the resolution of methyl sulfinylacetates mediated by lipase Amano AK, so an apparatus to continually extract the carboxylate product was devised. This was applied to resolve some sulfoxides with high enantiodifferentiation. (C) 2011 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2011.09.024

文献信息

• Continuous flow biocatalytic resolutions of methyl sulfinylacetates
  作者：Zhanxiang Liu、Kevin Burgess

  DOI：10.1016/j.tetlet.2011.09.024

  日期：2011.11

  Product inhibition was encountered for some substrates in the resolution of methyl sulfinylacetates mediated by lipase Amano AK, so an apparatus to continually extract the carboxylate product was devised. This was applied to resolve some sulfoxides with high enantiodifferentiation. (C) 2011 Published by Elsevier Ltd.