1,2,3,5-四氟-4-碘苯 | 13332-15-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1,2,3,5-四氟-4-碘苯
• 英文名称: 1,2,3,5-tetrafluoro-4-iodobenzene
• 英文别名: 1-iodo-2,3,4,6-tetrafluorobenzene；1,2,3,5-Tetrafluoro-4-jodobenzol；1,2,3,5-Tetrafluor-4-jodbenzol；3-Jod-2,4,5,6-tetrafluorbenzol；2,3,4,6-Tetrafluorjodbenzol
• CAS: 13332-15-5
• 化学式: C₆HF₄I
• 分子量: 275.972
• InChiKey: GPQFROZFLWEJGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,2,3,5-四氟-4-碘苯 在 氯磺酸 、 ammonium hydroxide 、 potassium phosphate 、 dichloro[1,1'-bis(di-t-butylphosphino)ferrocene]palladium(II) 作用下， 以 二氯甲烷 、 水 、 甲苯 为溶剂， 反应 33.0h， 生成 4-chloro-2',3',4',6,6'-pentafluoro-[1,1'-biphenyl]-3-sulfonamide
  参考文献：
  名称：

  WO2023/137309

  摘要：

  公开号：
• 作为产物：
  描述：

  1,2,3,5-四氟苯 生成 1,2,3,5-四氟-4-碘苯
  参考文献：
  名称：

  芳族多氟化合物-XXXIV：一些四氟卤代苯的亲核取代反应

  摘要：

  1,2,3,4-四氟-5- halogenobenzenes与甲醇钠或二甲胺反应以置换主要是氟的对位到氢。氟对位到卤素也更换，并在一定程度上增加的顺序：（卤素灯）氯<溴

  DOI：

  10.1016/s0040-4020(01)99045-3

文献信息

• 19F and 1H NMR and ESR investigations of aryl-t-butyl nitroxides and nitronylnitroxides
  作者：J. Goldman、T.E. Petersen、K. Torssell、J. Becher

  DOI：10.1016/0040-4020(73)80203-0

  日期：1973.1

  1H and 19F NMR and ESR spectra of several nitroxides have been recorded. The 19F couplings are sensitive to steric factors and this shows why the simple linear relationship aF = OeffF· ϱCπ is not adequate. The π and σ spin delocalization mechanisms are demonstrated. The spin transmission via oxygen and sulphur is affected by geometry (efficiency of pπ-nπ overlap), pπ-dπ overlap only plays a role in

  已经记录了几种氮氧化物的1 H和19 F NMR和ESR光谱。在19个˚F联轴器是位阻因素敏感，这说明了为什么简单的线性关系的˚F = O EFF ˚F ·ρ Ç π是不够的。证明了π和σ自旋离域机制。通过氧和硫的自旋传输受几何形状（pπ-nπ重叠的效率）的影响，pπ-dπ重叠仅在带正电的S原子（砜）中起作用。烷基链中质子偶联的绝对符号取决于链长和取代基。描述了几种稳定的氮氧化物的合成。
• Method for producing tetrakis ( fluoroaryl) borate-magnesium compound
  申请人：——

  公开号：US20030216598A1

  公开（公告）日：2003-11-20

  Fluoroaryl magnesium halide is reacted with a boron compound so that a molar ratio of the fluoroaryl magnesium halide to the boron compound is not less than 3.0 and not more than 3.7, so as to produce a tetrakis (fluoroaryl) borate·magnesium compound. With this method, there occurs no hydrogen fluoride which corrodes a producing apparatus and requires troublesome waste water treatment.

  氟芳基镁卤化物与硼化合物反应，使得氟芳基镁卤化物与硼化合物的摩尔比不低于3.0且不高于3.7，从而产生四氟芳基硼酸盐·镁化合物。通过这种方法，不会产生腐蚀生产设备并需要繁琐废水处理的氢氟酸。
• Reactions of polyfluoroaromatic compounds with electrophilic agents in the presence of tris(dialkylamino)phosphine
  作者：V. V. Bardin

  DOI：10.1007/bf02495213

  日期：1997.4

  The rate of replacement of the halogen atom in isomers of RC6F4X (X=Cl, Br, or I) by the SiMe3 group under the action of Me3SiCl and P(NEt2)3 depends on the nature and the mutural arrangement of the substituents X and R. In addition to silyldehalogenation, compounds C6HF4X (X=Br or I) undergo silyldeprotonation and reduction to tetrafluorobenzenes.

  在 Me3SiCl 和 P(NEt2)3 的作用下，SiMe3 基团对 RC6F4X 异构体（X=Cl、Br 或 I）中卤素原子的置换率取决于取代基 X 和R. 除了甲硅烷基脱卤之外，化合物 C6HF4X（X=Br 或 I）还会发生甲硅烷基脱质子化并还原为四氟苯。
• Aromatic polyfluoro compounds—XXXIV
  作者：J. Burdon、D.R. King、J.C. Tatlow

  DOI：10.1016/s0040-4020(01)99045-3

  日期：1966.1

  dimethylamine with replacement mainly of the fluorine para to the hydrogen. The fluorine para to the halogen is also replaced, and to an extent which increases in the order: (Halogen ) Cl < Br < I, but which is always less than the replacement para to the hydrogen. The reactions of the 1,2,3,5-tetrafluoro-4-halogenbenzenes with sodium methoxide follow the same pattern, but with dimethylamine replacement para to

  1,2,3,4-四氟-5- halogenobenzenes与甲醇钠或二甲胺反应以置换主要是氟的对位到氢。氟对位到卤素也更换，并在一定程度上增加的顺序：（卤素灯）氯<溴
• Method for producing fluoroaryl metal compound
  申请人：——

  公开号：US20020065426A1

  公开（公告）日：2002-05-30

  A method for easily and inexpensively producing and purifying a fluoroaryl metal compound such as bis(pentafluorophenyl)dialkyltin which is less colored and has no impurities is provided. Hydrocarbon magnesium halide is reacted with fluoroaryl halide in a solvent including an ether solvent so as to obtain fluoroaryl magnesium halide, which is then reacted with an organic metal compound so as to produce a fluoroaryl metal compound. Tin is more preferable as a metal atom included in the organic metal compound. As for the ether solvent, chain ether solvents are preferable, more specifically, diisopropyl ether, dibutyl ether, and t-butylmethyl ether are more preferable. Besides, it is preferable that magnesium halide, which is a by-product of the fluoroaryl metal compound, is precipitated and removed, or treated with an acid.

  提供了一种简单、廉价的方法来生产和纯化氟芳基金属化合物，例如双(五氟苯基)二烷基锡，该化合物颜色较浅且没有杂质。将碳氢化合物镁卤化物与氟芳基卤化物在包括醚类溶剂的溶剂中反应，以获得氟芳基镁卤化物，然后将其与有机金属化合物反应，以产生氟芳基金属化合物。锡是有机金属化合物中包含的金属原子更为理想。对于醚类溶剂，链醚类溶剂更为理想，更具体地说，二异丙基醚、二丁基醚和叔丁基甲基醚更为理想。此外，最好将氟芳基金属化合物的副产物镁卤化物沉淀并去除，或者用酸处理。