2-[(4-hydroxyphenyl)thio]-N-(phenylmethyl)-acetamide | 117732-37-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-[(4-hydroxyphenyl)thio]-N-(phenylmethyl)-acetamide
• 英文别名: N-benzyl-2-(4-hydroxyphenyl)sulfanylacetamide
• CAS: 117732-37-3
• 化学式: C₁₅H₁₅NO₂S
• 分子量: 273.356
• InChiKey: MOYSGJSSYPSSAR-UHFFFAOYSA-N

物化性质

• 沸点：
  531.6±45.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-[(4-hydroxyphenyl)thio]-N-(phenylmethyl)-acetamide 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 20.0h， 生成 2-[[4-[[4-chloro-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]oxy]phenyl]thio]-N-(phenylmethyl)-acetamide
  参考文献：
  名称：

  Antibacterial single-bead screening

  摘要：

  Triazine based antibiotics were prepared by the attachment of cyanuric chloride onto a Marshall-type safety catch linker, followed by successive aromatic nucleophilic substitutions, linker activation and nucleophilic cleavage. High-loading dendrimer beads allowed the release of sufficient amount of compound from a single bead to give clear inhibition. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2003.10.070
• 作为产物：
  描述：

  4-羟基苯硫酚 、 alkaline earth salt of/the/ methylsulfuric acid 在 1-羟基苯并三唑 、 N,N-二异丙基乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 生成 2-[(4-hydroxyphenyl)thio]-N-(phenylmethyl)-acetamide
  参考文献：
  名称：

  Antibacterial single-bead screening

  摘要：

  Triazine based antibiotics were prepared by the attachment of cyanuric chloride onto a Marshall-type safety catch linker, followed by successive aromatic nucleophilic substitutions, linker activation and nucleophilic cleavage. High-loading dendrimer beads allowed the release of sufficient amount of compound from a single bead to give clear inhibition. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2003.10.070

文献信息

• Antibacterial single-bead screening
  作者：Sylvain Lebreton、Nicholas Newcombe、Mark Bradley

  DOI：10.1016/j.tet.2003.10.070

  日期：2003.12

  Triazine based antibiotics were prepared by the attachment of cyanuric chloride onto a Marshall-type safety catch linker, followed by successive aromatic nucleophilic substitutions, linker activation and nucleophilic cleavage. High-loading dendrimer beads allowed the release of sufficient amount of compound from a single bead to give clear inhibition. (C) 2003 Elsevier Ltd. All rights reserved.