1-Fluoro-1-nitropentane | 34451-60-0

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 1-Fluoro-1-nitropentane
• 英文别名: 1-Fluor-1-nitro-n-pentan；1-Fluor-1-nitro-pentan；Fluoronitropentane
• CAS: 34451-60-0
• 化学式: C₅H₁₀FNO₂
• 分子量: 135.138
• InChiKey: LBYBNZXXWUYPNJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-Fluoro-1-nitropentane 在 苄基三甲基氢氧化铵 、 potassium carbonate 作用下， 以 乙醇 、 苯 为溶剂， 生成 1-(2'-Fluoro-2'-nitrohexoxy)-2,4,6-trinitrobenzol
  参考文献：
  名称：

  Synthesis and properties of fluoronitro alcohols

  摘要：

  DOI：

  10.1007/bf00857056
• 作为产物：
  描述：

  1-硝基戊烷 在 乙酰基次氟酸酯 、 sodium methylate 作用下， 以 甲醇 、 一氟三氯甲烷 为溶剂， 以10%的产率得到1-Fluoro-1-nitropentane
  参考文献：
  名称：

  Fluorination of Nitro Compounds with Acetyl Hypofluorite

  摘要：

  Various types of nitro derivatives are fluorinated to form the CFNO2 moiety in very good yields using acetyl hypofluorite (AcOF). The corresponding nitro anion, preferably prepared with NaOMe, is added quickly to a cold (-75 degrees C) CFCl3 solution of AcOF, and although it contains water and acetic acid little or no protonation occurs because these proton donors are frozen. Many of the starting nitro derivatives were prepared by oxidizing the corresponding amino derivatives using the complex HOF.CH3CN, prepared by bubbling F-2 through aqueous acetonitrile.

  DOI：

  10.1021/jo00101a047

文献信息

• Rozen Shlomo, Bar-Haim Arie, Mishani Eyal, J. Org. Chem, 59 (1994) N 22, S 6800-6803
  作者：Rozen Shlomo, Bar-Haim Arie, Mishani Eyal

  DOI：——

  日期：——
• Fluorination of Nitro Compounds with Acetyl Hypofluorite
  作者：Shlomo Rozen、Arie Bar-Haim、Eyal Mishani

  DOI：10.1021/jo00101a047

  日期：1994.11

  Various types of nitro derivatives are fluorinated to form the CFNO2 moiety in very good yields using acetyl hypofluorite (AcOF). The corresponding nitro anion, preferably prepared with NaOMe, is added quickly to a cold (-75 degrees C) CFCl3 solution of AcOF, and although it contains water and acetic acid little or no protonation occurs because these proton donors are frozen. Many of the starting nitro derivatives were prepared by oxidizing the corresponding amino derivatives using the complex HOF.CH3CN, prepared by bubbling F-2 through aqueous acetonitrile.
• Synthesis and properties of fluoronitro alcohols
  作者：L. T. Eremenko、F. Ya. Natsibullin、G. V. Oreshko

  DOI：10.1007/bf00857056

  日期：1973.4