<1-18F>1,1,1,2-tetrafluoroethane

• 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: <1-18F>1,1,1,2-tetrafluoroethane
• 英文别名: 1-(18F)fluoranyl-1,1,2-trifluoroethane
• 化学式: C₂H₂F₄
• 分子量: 101.033
• InChiKey: LVGUZGTVOIAKKC-NUTRPMROSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  6
• 可旋转键数：
  0
• 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：
  4

反应信息

• 作为产物：
  描述：

  三氟乙烯 在 fluorine-18 、 potassium carbonate 、 4,7,13,16,21,24-六氧-1,10-二氮双环[8.8.8]二十六烷 作用下， 以 乙腈 为溶剂， 115.0 ℃ 、280.0 kPa 条件下， 反应 0.5h， 生成 <1-18F>1,1,1,2-tetrafluoroethane
  参考文献：
  名称：

  使用氟18对CFC替代1,1,1,2-四氟乙烷（HFC-134a）进行有效的区域选择性标记

  摘要：

  描述了一种有效的化学方法，用于用回旋加速器产生的发射正电子的氟18（最小）对CFC替代品1,1,1,2-四氟乙烷进行区域选择性标记。[1- 18 F] 1,1,1,2-四氟乙烷是通过向三氟乙烯和[2- 18 F] 1,1,1,2-四氟乙烷亲核加成无载体的[ 18 F]氟化物而制备的。用[ 18 F]氟化物在对甲苯磺酸2,2,2-三氟乙基酯中对甲苯磺酸酯进行亲核取代。各反应通过一个钾阳离子的Kryptofix介导®2.2.2在密封的玻璃碳容器中，有或无乙腈为溶剂的络合物。通过亲核加成标记在1-位的选择性为97.2±0.4％，通过亲核取代标记在2-位标记的选择性为91.2±1.2％。气相色谱分离得到高放射性化学纯度（> 99.995％）和高化学纯度（> 99.6％）的每种标记的四氟乙烷。获得约37 MBq（1 mCi）/μmol的比放射性。每种合成都是全自动的，可以安全地应对较高的初始放射性，

  DOI：

  10.1016/0022-1139(94)03138-p

文献信息

• Efficient and selective labelling of the CFC alternative, 1,1,1,2-tetrafluoroethane, with 18F in the 1-position
  作者：Franklin I. Aigbirhio、Victor W. Pike、Stephen L. Waters、John Makepeace、Richard J. N. Tanner

  DOI：10.1039/c39930001064

  日期：——

  Treatment of trifluoroethylene with cyclotron-produced [18F]fluoride, in the presence of potassium carbonate-aminopolyether 2.2.2, labels 1,1,1,2-tetrafluoroethane efficiently and selectively in the 1-position.

  在碳酸钾-氨基聚醚 2.2.2 的存在下，用回旋加速器产生的[18F]氟化物处理三氟乙烯，可在 1-位高效、选择性地标记 1,1,1,2-四氟乙烷。
• Novel use of an isotope separator to determine the position of fluorine-18 in labelled 1,1,1,2-tetrafluoroethanes
  作者：Victor W. Pike、Stephen L. Waters、Franklin I. Aigbirhio、John Makepeace、Richard J. N. Tanner

  DOI：10.1002/oms.1210290910

  日期：1994.9

  AbstractA novel technique is described for measuring the site selectivity of methods for labelling the major CFC‐alternative, 1,1,1,2‐tetrafluoroethane (HFA 134a), with fluorine‐18 (t1/2 = 109.7 min). The carbon–carbon bond in radiofluorinated HFA 134a is broken in the ion source of an isotope separator. Radioactivity associated with the ion beam of the [CF2 18F]+. fragment (m/z = 68) is collected, measured and divided by the integrated mass of the simultaneously collected ion beam for the [CF3]+. fragment (m/z = 69) to give the ‘specific radioactivity’ (in nCi nmol–1) of the radiolabel in the 1‐position. Similarly, the ‘specific radioactivity’ of the radiolabel in the 2‐position is calculated from the measured radioactivity of the ion beam from the [CH2 18F]+. fragment (m/z = 32) and the integrated mass of the simultaneously collected ion beam from the [CH2F]+. fragment (m/z = 33). The selectivity of the labelling procedure for a particular position is then given by the decay‐corrected ratio of specific radioactivity at that position to the sum of specific radioactivities. The labelling of HFA 134a by the reaction of [18F] fluoride with trifluoroethylene was found to have 97% selectivity for the CF3 group, whereas labelling by the reaction of [18F] fluoride with 2,2,2‐trifluoroethyl p‐toluenesulphonate was found to have 91% selectivity for the CH2F group. This information is of value for tracer studies of the fate of HFA 134a in man following its inhalation as a drug propellant. The described technique is of potentially wider value for determining the position of fluorine‐18 in labelled polyfluorinated molecules.