phenylsulfanyl-acetic acid-(N-benzyl-anilide) | 861062-41-1

• 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: phenylsulfanyl-acetic acid-(N-benzyl-anilide)
• 英文别名: Phenylmercapto-essigsaeure-(N-benzyl-anilid)；N-benzyl-N-phenyl-2-phenylsulfanylacetamide
• CAS: 861062-41-1
• 化学式: C₂₁H₁₉NOS
• 分子量: 333.454
• InChiKey: ONIJHABKZMJJOO-UHFFFAOYSA-N

物化性质

• 熔点：
  49 °C(Solv: benzene (71-43-2); ligroine (8032-32-4))
• 沸点：
  491.6±38.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  45.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  phenylsulfanyl-acetic acid-(N-benzyl-anilide) 在 对甲苯磺酸 、 间氯过氧苯甲酸 作用下， 以 四氯化碳 为溶剂， 生成 2-Phenyl-4-phenylsulfanyl-1,4-dihydro-2H-isoquinolin-3-one
  参考文献：
  名称：

  Electrolytic Partial Fluorination of Organic Compounds. 22.¹ Highly Regioselective Anodic Monofluorination of Oxindole and 3-Oxo-1,2,3,4-tetrahydroisoquinoline Derivatives: Effects of Supporting Fluoride Salts and Anode Materials

  摘要：

  Highly regioselective monofluorination of 1-aryl-3-(phenylthio)oxindoles and 2-substituted-3-oxo-4-(phenylthio)-1,2,3,4-tetrahydroisoquinolines can be successfully carried out in the presence of Me4NF . 4HF or Et4NF . 3HF as a supporting electrolyte to provide the corresponding S-fluorinated oxindole and 4-fluorinated isoquinoline derivatives in good yields. Carbon anodes as well as a platinum anode were found to be effective for the fluorination when Me4NF . 4HF was used as the supporting electrolyte.

  DOI：

  10.1021/jo971173i
• 作为产物：
  描述：

  苯甲基苯胺 生成 phenylsulfanyl-acetic acid-(N-benzyl-anilide)
  参考文献：
  名称：

  Clark; Hams, Biochemical Journal, 1953, vol. 55, p. 839,842

  摘要：

  DOI：

文献信息

• Clark; Hams, Biochemical Journal, 1953, vol. 55, p. 839,842
  作者：Clark、Hams

  DOI：——

  日期：——
• Electrolytic Partial Fluorination of Organic Compounds. 22.¹ Highly Regioselective Anodic Monofluorination of Oxindole and 3-Oxo-1,2,3,4-tetrahydroisoquinoline Derivatives: Effects of Supporting Fluoride Salts and Anode Materials
  作者：Yankun Hou、Seiichiro Higashiya、Toshio Fuchigami

  DOI：10.1021/jo971173i

  日期：1997.12.1

  Highly regioselective monofluorination of 1-aryl-3-(phenylthio)oxindoles and 2-substituted-3-oxo-4-(phenylthio)-1,2,3,4-tetrahydroisoquinolines can be successfully carried out in the presence of Me4NF . 4HF or Et4NF . 3HF as a supporting electrolyte to provide the corresponding S-fluorinated oxindole and 4-fluorinated isoquinoline derivatives in good yields. Carbon anodes as well as a platinum anode were found to be effective for the fluorination when Me4NF . 4HF was used as the supporting electrolyte.