4-(1-butylthio)-1-nitronaphthalene | 524948-87-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-(1-butylthio)-1-nitronaphthalene
• 英文别名: 1-butylsulfanyl-4-nitronaphthalene
• CAS: 524948-87-6
• 化学式: C₁₄H₁₅NO₂S
• 分子量: 261.345
• InChiKey: HQWCXXAHTPVTNC-UHFFFAOYSA-N

物化性质

• 沸点：
  417.8±28.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.64
• 重原子数：
  18.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  43.14
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-(1-butylthio)-1-nitronaphthalene 在 tin(ll) chloride 作用下， 以 乙醇 为溶剂， 反应 20.0h， 以43%的产率得到1-amino-4-(1-butylthio)naphthalene
  参考文献：
  名称：

  Double thioalkylation/arylation of nitroarenes with the reduction of nitro- to amino group

  摘要：

  Some active bicyclic nitroarenes readily react with an excess of alkyl/arylthiols in the presence of DBU and bis-trimethylsilylacetamide (BSA) in DMF solution, to give dithioalkyl/aryl substituted anilines in moderate to good yields via displacement of ortho- and para-hydrogen atoms with simultaneous reduction of the nitro- to amino-group. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)01454-0
• 作为产物：
  描述：

  4-硝基-1-萘酚 在 potassium carbonate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-(1-butylthio)-1-nitronaphthalene
  参考文献：
  名称：

  Double thioalkylation/arylation of nitroarenes with the reduction of nitro- to amino group

  摘要：

  Some active bicyclic nitroarenes readily react with an excess of alkyl/arylthiols in the presence of DBU and bis-trimethylsilylacetamide (BSA) in DMF solution, to give dithioalkyl/aryl substituted anilines in moderate to good yields via displacement of ortho- and para-hydrogen atoms with simultaneous reduction of the nitro- to amino-group. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)01454-0

文献信息

• Double thioalkylation/arylation of nitroarenes with the reduction of nitro- to amino group
  作者：Zbigniew Wróbel

  DOI：10.1016/s0040-4020(02)01454-0

  日期：2003.1

  Some active bicyclic nitroarenes readily react with an excess of alkyl/arylthiols in the presence of DBU and bis-trimethylsilylacetamide (BSA) in DMF solution, to give dithioalkyl/aryl substituted anilines in moderate to good yields via displacement of ortho- and para-hydrogen atoms with simultaneous reduction of the nitro- to amino-group. (C) 2002 Elsevier Science Ltd. All rights reserved.