4-氟喹唑啉 | 56595-09-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 4-氟喹唑啉
• 英文名称: 4-fluoroquinazoline
• 英文别名: 4-fluoro-quinazoline；4-Fluorochinazolin
• CAS: 56595-09-6
• 化学式: C₈H₅FN₂
• mdl: MFCD12400726
• 分子量: 148.14
• InChiKey: WDTKVHIQJVALDS-UHFFFAOYSA-N

物化性质

• 沸点：
  246.1±13.0 °C(Predicted)
• 密度：
  1.297±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-羟基喹唑啉 在 N,N'-1,3-bis(2,6-diisopropylphenyl)-4,5-dihydro-2,2-difluoroimidazolidine 、 cesium fluoride 作用下， 以 甲苯 为溶剂， 反应 24.5h， 以34%的产率得到4-氟喹唑啉
  参考文献：
  名称：

  PhenoFluor: Practical Synthesis, New Formulation, and Deoxyfluorination of Heteroaromatics

  摘要：

  We report a practical synthesis method of the reagent PhenoFluor on decagram scale, provide a new formulation of PhenoFluor as a toluene solution, which should decrease challenges associated with the moisture sensitivity of the reagent, and expand the substrate scope of deoxyfluorination with PhenoFluor to heteroaromatics.

  DOI：

  10.1021/op500121w

文献信息

• Rhodium-catalyzed transformation of heteroaryl aryl ethers into heteroaryl fluorides
  作者：Mieko Arisawa、Saori Tanii、Takeru Tazawa、Masahiko Yamaguchi

  DOI：10.1039/c6cc05400e

  日期：——

  A rhodium complex catalyzed the conversion of the C–O bond of heteroaryl aryl ethers to the C–F bond.

  一种铑配合物催化了杂芳基芳基醚的C-O键转化为C-F键。
• Fluorination of organic compounds
  申请人：President and Fellows of Harvard College

  公开号：US10759764B2

  公开（公告）日：2020-09-01

  Methods for fluorinating organic compounds utilizing a novel organic reagent are described herein. The invention further discloses the utility of this reagent for incorporation of the 18 F isotope into hydroxyl group-containing organic molecules for PET imaging studies. Preparation of the reagents is described along with isolable intermediate structures from reaction of the reagent with a hydroxyl group-containing organic molecule.

  本发明描述了利用一种新型有机试剂使有机化合物氟化的方法。本发明进一步揭示了这种试剂在将 18 F 同位素掺入含羟基的有机分子以进行 PET 成像研究方面的用途。本发明描述了试剂的制备以及试剂与含羟基有机分子反应产生的可分离中间结构。
• QUINUCLIDINE, 1-AZABICYCLO[2.2.1]HEPTANE, 1-AZABICYCLO [3.2.1]OCTANE, and 1-AZABICYCLO[3.2.2]NONANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS
  申请人：Bristol-Myers Squibb Company

  公开号：EP2855471B1

  公开（公告）日：2017-11-15
• FLUORINATION OF ORGANIC COMPOUNDS
  申请人：President and Fellows of Harvard College

  公开号：US20160272593A1

  公开（公告）日：2016-09-22

  Methods for fluorinating organic compounds utilizing a novel organic reagent are described herein. The invention further discloses the utility of this reagent for incorporation of the 18 F isotope into hydroxyl group-containing organic molecules for PET imaging studies. Preparation of the reagents is described along with isolable intermediate structures from reaction of the reagent with a hydroxyl group-containing organic molecule.