2,3,4,5,6-pentafluoroformanilide | 58751-08-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,3,4,5,6-pentafluoroformanilide
• 英文别名: pentafluorophenylformanilide；2', 3', 4', 5', 6'-Pentafluorformanilid；Pentafluorphenylformanilid；Pentafluorformanilid；N-(2,3,4,5,6-pentafluorophenyl)formamide
• CAS: 58751-08-9
• 化学式: C₇H₂F₅NO
• 分子量: 211.091
• InChiKey: PFLNPYGKPHATNW-UHFFFAOYSA-N

物化性质

• 熔点：
  99-100 °C
• 沸点：
  271.3±40.0 °C(Predicted)
• 密度：
  1.658±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,3,4,5,6-pentafluoroformanilide 生成 methyl (perfluorophenyl)carbamate
  参考文献：
  名称：

  Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: F: PerFHalOrg.9, 7.3, page 102 - 124

  摘要：

  DOI：
• 作为产物：
  描述：

  1,1-dichloro-N-(perfluorophenyl)boranamine 在 H₂O 作用下， 以 四氢呋喃 为溶剂， 生成 2,3,4,5,6-pentafluoroformanilide
  参考文献：
  名称：

  Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: F: PerFHalOrg.7, 1, page 1 - 84

  摘要：

  DOI：

文献信息

• [EN] SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DU RECEPTEUR CCR5 A BASE DE QUINOLEINE SUBSTITUES
  申请人：SCHERING AG

  公开号：WO2004002960A1

  公开（公告）日：2004-01-08

  The present invention relates to CCR5 receptor antagonists of formulae (1a) or (1b), enantiomers, diastereomers, salts and solvates thereof wherein R1, R2, R3, R4, R5, and R7 are as defined herein. The invention further includes a method of CCR5-mediated disorders employing such compounds.

  本发明涉及式（1a）或（1b）的CCR5受体拮抗剂，其对映体、二对映体、盐和溶剂合物，其中R1、R2、R3、R4、R5和R7如本文所定义。该发明还包括一种利用这些化合物治疗CCR5介导的疾病的方法。
• Strong electron acceptor properties of 3′(pentafluorophenyl)isoxazolo[4′,5′:1,2][60]fullerene derivatives
  作者：Hermann Irngartinger、Thomas Escher

  DOI：10.1016/s0040-4020(99)00607-9

  日期：1999.8

  Investigations on the synthesis and electrochemical behaviour of a new class of acceptor substituted isoxazolofullerenes is described. The influence of distance and orientation of pentafluorophenyl substituents on cyclic voltammetry is discussed. The strong acceptor effect of 1c could be due to a through space interaction of a pentafluoro-phenyl substituent with the [60]fullerene surface.

  描述了新型受体取代的异恶唑并富勒烯的合成和电化学行为的研究。讨论了五氟苯基取代基的距离和方向对循环伏安法的影响。1c的强受体效应可能是由于五氟苯基取代基与[60]富勒烯表面在空间上的相互作用。
• Mechanisms of cage reactions: kinetics of combination and diffusion after picosecond photolysis of iron(II) porphyrin ligated systems
  作者：Teddy G. Traylor、Douglas Magde、Jikun Luo、Kevin N. Walda、Debkumar Bandyopadhyay、Guo Zhang Wu、Vijay S. Sharma

  DOI：10.1021/ja00049a036

  日期：1992.11

  The kinetics of transient absorption changes for a number of protoheme-ligand systems after subpicosecond photolysis have been investigated. When the photolyzed ligand is tert-butyl, pentachlorophenyl, pentafluorophenyl, 5α-cholestan-3α-yl, or 5α-cholestan-3β-yl isocyanide or 1-methylimidazole, a concentration-independent relaxation is observed. Its decay is accuratel exponential. Therefore the geminate

  已经研究了亚皮秒光解后许多原血红素-配体系统的瞬态吸收变化的动力学。当光解配体是叔丁基、五氯苯基、五氟苯基、5α-胆甾醇-3α-基或 5α-胆甾醇-3β-基异氰化物或 1-甲基咪唑时，观察到与浓度无关的弛豫。它的衰减是准确的指数。因此，光解产生的双子对在清晰的一级过程中消失，并且不遵循在高粘度溶剂或低温玻璃中具有其他配体的类似系统所报道的幂律动力学
• [EN] 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS<br/>[FR] COMPOSES 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE POUR LE TRAITEMENT DE LA TUBERCULOSE
  申请人：OTSUKA PHARMA CO LTD

  公开号：WO2005042542A1

  公开（公告）日：2005-05-12

  The present invention provides a 2,3-dihydro-6-nitroimidazo[2,1-b]oxazole compound represented by the following general formula: (1)in the above formula (1), R1 represents a hydrogen atom or C1-C6 alkyl group, n represents an integer of 0 to 6, R1 and -(CH2)nR2 may form a spiro ring represented by the formula (30) below, together with the adjacent carbon atom (in the formula below, RRR represents a piperidyl group which may have substituents on the piperidine ring), (30)and R2 represents a benzothiazolyloxy group, quinolyloxy group, pyridyloxy group or the like. The present compound has an excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria.

  本发明提供了一种由以下一般式表示的2,3-二氢-6-硝基咪唑[2,1-b]噁唑化合物：(1)在上述式(1)中，R1代表氢原子或C1-C6烷基，n代表0至6的整数，R1和-(CH2)nR2可以与下面的式(30)一起形成一个螺环，与相邻的碳原子一起（在下面的式中，RRR代表可能在哌啶环上具有取代基的哌啶基），(30)和R2代表苯并噻唑氧基、喹啉氧基、吡啶氧基或类似物。该化合物对结核分枝杆菌、多药耐药结核分枝杆菌和非典型耐酸细菌具有出色的杀菌作用。
• [¹⁸F]/¹⁹F exchange in fluorine containing compounds for potential use in¹⁸F-labelling strategies
  作者：Elisabeth Blom、Farhad Karimi、Bengt Långström

  DOI：10.1002/jlcr.1670

  日期：2009.9.30

  Exchange of [18F]fluoride with 19F in various organofluorine compounds in concentrations ranging from 0.06 to 56 mM was explored. We aimed to explore whether exchange reactions can be a potential useful labelling strategy, when there are no requirement of high specific radioactivity. Parameters such as solvents, temperature, conventional vs microwave heating, and the degree of fluorine load in some aromatic and alkyl compounds were investigated with regard to radiochemical yield and specific radioactivity. A series of fluorobenzophenones (1–6), 1-(4-fluorophenyl)ethanone (7), various activated and deactivated fluoro benzenes (8–16), N-(pentafluorophenyl)benzamide (17), (pentafluorophenyl)formamide (18), (tridecafluorohexyl)benzene (19) and tetradecafluorohexane (20) were subjected to [18F]/19F exchange. To test this strategy to label biologically active molecules containing fluorine atoms in an aryl group, two analogues of WAY-100635 (21–22), Lapatinib (23), 2,5,6,7,8-pentafluoro-3-methylnaphthoquinone (24) and 1-(2,4-difluorophenyl)-3-(4-fluorophenyl)propan-1-one (25) were investigated. The multi-fluorinated molecules containing an electron-withdrawing group were successfully labelled at room temperature, whereas the monofluorinated, as well as those containing an electron-donating group, required heating for the exchange reaction to take place. Copyright © 2009 John Wiley & Sons, Ltd.

  在浓度范围为0.06至56 mM的各种有机氟化合物中探索了[18F]氟化物与19F的交换。我们的目标是探讨当不需要高特定放射性时，交换反应是否可以成为一种潜在有用的标记策略。我们研究了溶剂、温度、传统加热与微波加热、以及某些芳香和烷基化合物的氟负载程度对放射化学产率和特定放射性的影响。 一系列氟苯酮（1–6）、1-(4-氟苯基)乙酮（7）、各种活化和去活化的氟苯（8–16）、N-(五氟苯基)苯酰胺（17）、(五氟苯基)甲酰胺（18）、(三十四氟十六烷)苯（19）和十四氟十六烷（20）参与了[18F]/19F交换。为了测试这种策略在含有芳基氟原子的生物活性分子中的标记效果，我们研究了WAY-100635的两个类似物（21–22）、拉帕替尼（23）、2,5,6,7,8-五氟-3-甲基萘醌（24）和1-(2,4-二氟苯基)-3-(4-氟苯基)丙酮（25）。含有电子吸引基团的多氟化分子在室温下成功标记，而单氟化分子以及含有电子供给基团的分子则需要加热才能进行交换反应。版权 © 2009 John Wiley & Sons, Ltd.