3-Chlor-4-fluor-hexan | 51444-07-6

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氟化物
• 英文名称: 3-Chlor-4-fluor-hexan
• 英文别名: 3-Chloro-4-fluoro-hexan；3-chloro-4-fluoro-hexane；3-Chloro-4-fluorohexane
• CAS: 51444-07-6
• 化学式: C₆H₁₂ClF
• 分子量: 138.613
• InChiKey: UPXFAIJEAILWFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  8
• 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：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  反-3-已烯 在 次氯酸叔丁酯 、 triethylamine trihydrofluoride 作用下， 以 二氯甲烷 为溶剂， 以90%的产率得到3-Chlor-4-fluor-hexan
  参考文献：
  名称：

  Generation of Interhalogen Fluorides under Mild Conditions:  A Comparison of Sluggish and Reactive Interhalogen Fluorides

  摘要：

  Interhalogen fluorides (XF; X = I, Br, or Cl) generated from xenon difluoride (XeF2) or triethylamine trihydrofluoride (TREAT HF) with iodine (I-2), N-halosuccinimides (NXS; X = I, Br, or CI), or alkylhypohalites (ROX; R = CH3 or t-Bu, X = Br or Cl) with alkenes and aromatics are reported. A comparison of the above reactions with other methods reported in the literature to generate interhalogen fluorides is made. Interhalogens generated from direct action of elemental fluorine (F-2) or XF3 (X = I, Br, or Cl) with chlorine (Cl-2), bromine (Br-2), or iodine (I-2) give a species that can react with electron-deficient alkenes or aromatics. These reagents are too reactive for electron-rich substrates. Interhalogen fluorides from reagents like NXS or ROX with XeF2 or amine HF are much less reactive and give good yields with electron-rich akenes or aromatics.

  DOI：

  10.1021/jo972319g

文献信息

• Synthetic methods and reactions. 63. Pyridinium poly(hydrogen fluoride) (30% pyridine-70% hydrogen fluoride): a convenient reagent for organic fluorination reactions
  作者：George A. Olah、John T. Welch、Yashwant D. Vankar、Mosatomo Nojima、Istvan Kerekes、Judith A. Olah

  DOI：10.1021/jo01336a027

  日期：1979.10
• Synthetic Methods and Reactions III¹. Halofluorination of Alkenes in Poly-Hydrogen Fluoride/Pyridine Solution
  作者：George A. OLAH、Masatomo NOJIMA、lstvan KEREKES

  DOI：10.1055/s-1973-22298

  日期：——
• OLAH G. A.; WELCH J. T.; VANKAR Y. D.; NOJIMA MOSATOMO; KEREKES I.; OLAH +, J. ORG. CHEM., 1979, 44, NO 22, 3872-3881
  作者：OLAH G. A.、 WELCH J. T.、 VANKAR Y. D.、 NOJIMA MOSATOMO、 KEREKES I.、 OLAH +

  DOI：——

  日期：——