Methyl 4-(1-fluorobutyl)benzoate | 1430423-80-5

• 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 4-(1-fluorobutyl)benzoate
• CAS: 1430423-80-5
• 化学式: C₁₂H₁₅FO₂
• 分子量: 210.248
• InChiKey: RRZZMJLMOMGOGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-戊基苯甲酸甲酯 在 N,N-dihydroxypyromellitimide 、 Selectfluor 作用下， 以 乙腈 为溶剂， 反应 7.0h， 以33%的产率得到Methyl 4-(1-fluorobutyl)benzoate
  参考文献：
  名称：

  Metal-Free Fluorination of C(sp³)–H Bonds Using a Catalytic N-Oxyl Radical

  摘要：

  A direct conversion of C(sp(3))-H bonds to C(sp(3))-F bonds has been developed. In this process, a catalytic N-oxyl radical generated from N,N-dihydroxypyromellitimide abstracts hydrogen from the C(sp(3))-H bond and Selectfluor acts to trap the resulting carbon radical to form the C(sp(3))-F bond. This simple metal-free protocol enables the chemoselective introduction of a fluorine atom into various aromatic and aliphatic compounds and serves as a powerful tool for the efficient synthesis of fluorinated molecules.

  DOI：

  10.1021/ol4006757

文献信息

• ISOCARBACYCLIN WITH MODIFIED $g(a)-CHAIN AND PROCESS FOR PRODUCING THE SAME
  申请人：TEIJIN LIMITED

  公开号：EP0664281A1

  公开（公告）日：1995-07-26

  An isocarbacyclin with the α-chain modified with phenylene, cycloalkylene or thiophenediyl. It has the activity of inhibiting DNA synthesis of human smooth muscle cells and is expected to inhibit vascular hypertrophy.

  一种α-链经亚苯基、环烷基或噻吩二基修饰的异碳双环化合物。它具有抑制人体平滑肌细胞 DNA 合成的活性，可望抑制血管肥大。
• ISOCARBACYCLIN WITH MODIFIED alpha(a)-CHAIN AND PROCESS FOR PRODUCING THE SAME
  申请人：TEIJIN LIMITED

  公开号：EP0664281B1

  公开（公告）日：1997-05-28
• Metal-Free Fluorination of C(sp³)–H Bonds Using a Catalytic <i>N</i>-Oxyl Radical
  作者：Yuuki Amaoka、Masanori Nagatomo、Masayuki Inoue

  DOI：10.1021/ol4006757

  日期：2013.5.3

  A direct conversion of C(sp(3))-H bonds to C(sp(3))-F bonds has been developed. In this process, a catalytic N-oxyl radical generated from N,N-dihydroxypyromellitimide abstracts hydrogen from the C(sp(3))-H bond and Selectfluor acts to trap the resulting carbon radical to form the C(sp(3))-F bond. This simple metal-free protocol enables the chemoselective introduction of a fluorine atom into various aromatic and aliphatic compounds and serves as a powerful tool for the efficient synthesis of fluorinated molecules.