2,3,4-Trifluor-5-methylbenzoesaeure | 65829-28-9

• 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-Trifluor-5-methylbenzoesaeure
• 英文别名: 2,3,4-Trifluoro-5-methylbenzoic acid
• CAS: 65829-28-9
• 化学式: C₈H₅F₃O₂
• 分子量: 190.122
• InChiKey: LQZDLWIPIVCIDB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,3,4-Trifluor-5-methylbenzoesaeure 在 正丁基锂 、 氯化亚砜 、 硫酸 、 硝酸 、 乙酸酐 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 1-Cyclopropyl-7,8-difluoro-6-methyl-5-nitro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester
  参考文献：
  名称：

  Novel 5-amino-6-methylquinolone antibacterials: A new class of non-6-fluoroquinolones

  摘要：

  A novel 5-amino-6-methylquinoline carboxylic acid was synthesized from 2,3,4-trifluoro aniline in 12 steps and coupled with various types of amines to furnish new quinolone antibacterial agents. Depending on the structure of amine, some of quinolones showed comparable activity to ciprofloxacin or better Gram positive activity than ciprofloxacin, demonstrating that the C6 fluorine atom is not a necessary requirement for good antibacterial potency. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00324-7
• 作为产物：
  描述：

  2,3,4-三氟苯胺 在 sodium hydroxide 、 三氯化铝 、 氢溴酸 、 溴 、 magnesium 、 copper(I) bromide 、 sodium nitrite 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成 2,3,4-Trifluor-5-methylbenzoesaeure
  参考文献：
  名称：

  Novel 5-amino-6-methylquinolone antibacterials: A new class of non-6-fluoroquinolones

  摘要：

  A novel 5-amino-6-methylquinoline carboxylic acid was synthesized from 2,3,4-trifluoro aniline in 12 steps and coupled with various types of amines to furnish new quinolone antibacterial agents. Depending on the structure of amine, some of quinolones showed comparable activity to ciprofloxacin or better Gram positive activity than ciprofloxacin, demonstrating that the C6 fluorine atom is not a necessary requirement for good antibacterial potency. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00324-7

文献信息

• BENZOHETEROCYCLIC COMPOUNDS AND USE THEREOF
  申请人：TIANJIN BINJIANG PHARMA, INC.

  公开号：US20140371278A1

  公开（公告）日：2014-12-18

  Disclosed are compound of formula (I) and pharmaceutically accepted salts and prodrugs thereof, wherein each of R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , X 1 and X 2 is as defined in the description. These compounds are protein kinases inhibitors, especially the inhibitors of Mek, which are useful in the treatment of cancers and inflammation of mammals. Disclosed are the treatment methods of cancers and inflammation of mammals as well as pharmaceutical compositions comprising the compounds described herein. The preparation of benzoheterocyclic compounds are disclosed. Disclosed are the preparation of potential drug candidates, such as benzooxazol, benzothiazol, benzothiadiazol and the like.

  本文披露了式(I)的化合物及其药用盐和前药，其中R1、R2、R3、R4、R5、R6、X1和X2中的每一个如描述中所定义。这些化合物是蛋白激酶抑制剂，特别是Mek的抑制剂，对哺乳动物的癌症和炎症的治疗有用。本文还披露了治疗哺乳动物癌症和炎症的方法，以及包括所述化合物的药物组合物。披露了苯杂环化合物的制备。还披露了潜在药物候选物的制备，如苯氧唑、苯噻唑、苯噻二唑等。
• Process for Production of 2,3,4-Trifluoro-5-(Iodo or Bromo)-Benzoic Acid
  申请人：Koyano Hiroshi

  公开号：US20090209785A1

  公开（公告）日：2009-08-20

  The invention provides a process for production of 2,3,4-trifluoro-5-(iodo or bromo)benzoic acid, the process comprising a halogenation step in which direct iodination or bromination of 2,3,4-trifluorobenzoic acid is performed with an iodinating agent or brominating agent in a reaction solvent in the presence of an oxidizing agent. According to the invention, there is provided a process for convenient production of 2,3,4-trifluoro-5-(iodo or bromo)benzoic acid in high yield and high purity in a highly regioselective manner.

  本发明提供了一种2,3,4-三氟-5-(碘或溴)苯甲酸的生产工艺，该工艺包括在卤化步骤中，通过在反应溶剂中使用氧化剂的存在下，使用碘化剂或溴化剂直接卤代2,3,4-三氟苯甲酸。根据本发明，提供了一种方便高产高纯度、高区域选择性地生产2,3,4-三氟-5-(碘或溴)苯甲酸的工艺。
• Sequential functionalization of phosphorescent emitter layers
  申请人：Siemens Aktiengesellschaft

  公开号：US10347849B2

  公开（公告）日：2019-07-09

  A method is provided for producing phosphorescent emitter layers composed of at least one organic fluorescent emitter F and at least one metal complex K including organic complex ligands L and at least one heavy main group metal M selected from the group consisting of In, Tl, Sn, Pb, Sn and Bi. The organic fluorescent emitter F and the metal complex K may be individually deposited as layers on a substrate and subsequently reacted with each other, wherein the coordination sphere of the heavy main group metal M is changed by receiving the organic fluorescent emitter F.

  本发明提供了一种生产磷光发射层的方法，该方法由至少一种有机荧光发射体 F 和至少一种金属络合物 K 组成，金属络合物 K 包括有机络合物配体 L 和至少一种选自 In、Tl、Sn、Pb、Sn 和 Bi 组的主族重金属 M。有机荧光发射体 F 和金属络合物 K 可以作为层单独沉积在基底上，然后相互反应，其中主族重金属 M 的配位层通过接收有机荧光发射体 F 而发生变化。
• SEQUENTIELLE FUNKTIONALISIERUNG PHOSPHORESZENTER EMITTERSCHICHTEN
  申请人：Siemens Aktiengesellschaft

  公开号：EP3114191B1

  公开（公告）日：2019-05-08
• Sequential Functionalization Of Phosphorescent Emitter Layers
  申请人：Siemens Aktiengesellschaft

  公开号：US20180182979A1

  公开（公告）日：2018-06-28

  A method is provided for producing phosphorescent emitter layers composed of at least one organic fluorescent emitter F and at least one metal complex K including organic complex ligands L and at least one heavy main group metal M selected from the group consisting of In, Tl, Sn, Pb, Sn and Bi. The organic fluorescent emitter F and the metal complex K may be individually deposited as layers on a substrate and subsequently reacted with each other, wherein the coordination sphere of the heavy main group metal M is changed by receiving the organic fluorescent emitter F.