methyl 3,5-bis(trifluoromethyl)phenylsulfinylacetate | 1350654-09-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methyl 3,5-bis(trifluoromethyl)phenylsulfinylacetate
• 英文别名: methyl 2-((3,5-bis(trifluoromethyl)phenyl)sulfinyl)acetate；Methyl 2-[3,5-bis(trifluoromethyl)phenyl]sulfinylacetate；methyl 2-[3,5-bis(trifluoromethyl)phenyl]sulfinylacetate
• CAS: 1350654-09-9
• 化学式: C₁₁H₈F₆O₃S
• 分子量: 334.239
• InChiKey: SNMNZBPNQKQZCI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  62.6
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  methyl 3,5-bis(trifluoromethyl)phenylsulfinylacetate 在 Pseudomonas sp. AK (Amano) lipase 作用下， 以 甲苯 为溶剂， 反应 48.0h， 生成 methyl (S)-3,5-bis(trifluoromethyl)phenylsulfinylacetate
  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：

  3,5-双三氟甲基溴苯 在 双氧水 、 potassium carbonate 、 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 methyl 3,5-bis(trifluoromethyl)phenylsulfinylacetate
  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.