5,6-Difluoroquinoline | 225366-91-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 5,6-Difluoroquinoline
• CAS: 225366-91-6
• 化学式: C₉H₅F₂N
• 分子量: 165.142
• InChiKey: NKWCTWMIROYAIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 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：
  12.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3,4-二氟苯胺 在 palladium on activated charcoal sodium hydroxide 、 硫酸 、 氢气 、 溴 、 sodium 3-nitrobenzenesulfonate 作用下， 以 甲醇 为溶剂， 反应 9.0h， 生成 5,6-Difluoroquinoline
  参考文献：
  名称：

  Effects of oligofluorine substitution on the mutagenicity of quinoline: a study with twelve fluoroquinoline derivatives

  摘要：

  A total of 12 variously fluorinated derivatives of quinoline (Q) were tested for their mutagenicity in Salmonella typhimurium TA100 in the presence of S9 mix to investigate the structure-mutagenicity relationship in oligofluorinated quinolines. Nine of them, 3,7-di-, 5,6-di-, 6,7-di-, 6,8-di-, 7,8-di-, 3,5,7-tri-, 5,6,8-tri-, 6,7,8-tri-, and 5,6,7,8-tetrafluoroquinolines (FQs), were newly synthesized for this purpose. Those fluorinated at position 3 were all non-mutagenic. Mutagenicity was enhanced by fluorine-substitution at position 5 or 7, but not in 3-FQs (i.e., 3,5-di-, 3,7-di-, and 3,5,7-triFQs). Some of the 6-fluorinated derivatives showed less maximum induced-revertants with more mutagenic potencies in terms of induced-revertants per dose than quinoline. No marked change occurred by fluorine-substitution at position 8. These results show that the effect of di- and trifluoro-substitution on mutagenicity is generally additive, while that of tetrafluorination approaches the deactivating effect of perfluorination. Our study suggests that 3-fluorine-substitution in the pyridine moiety may be a useful means of antimutagenic structural modification in pyridine-fused aromatic chemicals for medicinal and agricultural use. (C) 1999 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s1383-5718(98)00188-0

文献信息

• Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use
  申请人：Armstrong Helen M.

  公开号：US20090197883A1

  公开（公告）日：2009-08-06

  The instant invention provides compounds of Formula (I) which are 5-lipoxygenase activating protein inhibitors. Compounds of Formula (I) are useful as anti-atherosclerotic, anti-asthmatic, anti-allergic, anti-inflammatory and cytoprotective agents.

  本发明提供了式（I）的化合物，它们是5-脂氧酶活化蛋白抑制剂。式（I）的化合物可用作抗动脉粥样硬化、抗哮喘、抗过敏、抗炎和细胞保护剂。
• HALOGENATED QUINOLINE DERIVATIVES AND ECTOPARASITE CONTROLLERS
  申请人：Meiji Seika Kaisha, Ltd.

  公开号：EP1386914A1

  公开（公告）日：2004-02-04

  An objective of the present invention is to provide an ectoparasite control agent for homothermic animals, which has high control effect and is safe. The compounds according to the present invention are compounds represented by formula (I) and salts thereof: wherein R1 represents optionally substituted alkyl; optionally substituted alkenyl; optionally substituted alkynyl; OR5 wherein R5 represents optionally substituted alkyl, optionally substituted alkenyl, or optionally substituted alkynyl; or SR5 wherein R5 is as defined above, R2 represents optionally substituted alkyl, any one of R3 and R4 represents hydrogen and the other represents fluorine, chlorine, bromine, or CF3, and X represents fluorine or chlorine.

  本发明的目的是提供一种用于同温动物的外寄生虫控制剂，其控制效果高且安全。根据本发明的化合物是由式（I）代表的化合物及其盐类： 其中 R1 代表任选取代的烷基；任选取代的烯基；任选取代的炔基； OR5 其中 R5 代表任选取代的烷基、任选取代的烯基或任选取代的炔基；或 SR5 其中 R5 如上定义，R2 代表任选取代的烷基，R3 和 R4 中的任一个代表氢，另一个代表氟、氯、溴或 CF3，X 代表氟或氯。
• BLATCHLY, RICHARD A.;GREELEY, MICHAEL A.;MARKGRAF, J. HODGE, HETEROCYCLES, 29,(1989) N2, C. 2345-2351
  作者：BLATCHLY, RICHARD A.、GREELEY, MICHAEL A.、MARKGRAF, J. HODGE

  DOI：——

  日期：——
• DIPHENYL SUBSTITUTED CYCLOALKANES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE
  申请人：Merck & Co., Inc.

  公开号：EP1858513A1

  公开（公告）日：2007-11-28
• EP1858513A4
  申请人：——

  公开号：EP1858513A4

  公开（公告）日：2009-06-03