2-Phenyl-4-phenylsulfanyl-1,4-dihydro-2H-isoquinolin-3-one | 198882-04-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 2-Phenyl-4-phenylsulfanyl-1,4-dihydro-2H-isoquinolin-3-one
• 英文别名: 2-Phenyl-4-phenylsulfanyl-1,4-dihydroisoquinolin-3-one
• CAS: 198882-04-1
• 化学式: C₂₁H₁₇NOS
• 分子量: 331.438
• InChiKey: RVVUOWZZTNQEHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• 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：

  2-Phenyl-4-phenylsulfanyl-1,4-dihydro-2H-isoquinolin-3-one 在 四乙基氟化铵水合物 作用下， 以 乙腈 为溶剂， 以71%的产率得到4-Fluoro-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：

  (苯基硫醇)乙酰氯 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

文献信息

• 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.