4-pentafluoroethylaniline | 60979-04-6

• 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: 4-pentafluoroethylaniline
• 英文别名: 4-(perfluoroethyl)aniline；4-(1,1,2,2,2-pentafluoroethyl)-phenylamine；4-(Pentafluoroethyl)aniline；4-(1,1,2,2,2-pentafluoroethyl)aniline
• CAS: 60979-04-6
• 化学式: C₈H₆F₅N
• mdl: MFCD17480347
• 分子量: 211.134
• InChiKey: DHBQQUHYERQIMY-UHFFFAOYSA-N

物化性质

• 沸点：
  190.2±40.0 °C(Predicted)
• 密度：
  1.382±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• TSCA：
  No
• 海关编码：
  2921420090

反应信息

• 作为反应物：
  描述：

  4-pentafluoroethylaniline 在 溴 、 溶剂黄146 作用下， 以 丁酮 为溶剂， 反应 45.0h， 生成 3-(2-ethylthioethyl)-2-imino-6-pentafluoroethyl-benzothiazoline
  参考文献：
  名称：

  Riluzole Series. Synthesis and in Vivo “Antiglutamate” Activity of 6-Substituted-2-benzothiazolamines and 3-Substituted-2-imino-benzothiazolines

  摘要：

  Two series of analogues of riluzole, a blocker of excitatory amino acid mediated neurotransmission, have been synthesized: monosubstituted 2-benzothiazolamines and 3-substituted derivatives. Of all the compounds prepared in the first series, only 2-benzothiazolamines bearing alkyl, polyfluoroalkyl, or polyfluoroalkoxy substituents in the 6-position showed potent anticonvulsant activity against administration of glutamic acid in rats. The most active compounds displaying in vivo "antiglutamate" activity were the 6-OCF3 (riluzole), 6-OCF2CF3, 6-CF3, and 6-CF2CF3 substituted derivatives with ED50 values between 2.5 and 3.2 mg/kg i.p. Among the second series of variously substituted benzothiazolines, compounds as active as riluzole or up to 3 times more potent were identified in two series: benzothiazolines bearing a beta-dialkylaminoethyl moiety and compounds with an alkylthioalkyl chain and their corresponding sulfoxides and sulfones. The most potent derivatives were 2-imino-3-(2-methylthio)- and 2-imino-3-(2-methylsulfinyl)-ethyl-6-trifluoromethoxybenzothiazlines (61 and 64, ED50 = 10 and 1.1 mg/kg i.p., respectively). In addition, intraperitoneal administration of some of the best benzothiazolines protected mice from mortality produced by hypobaric hypoxia.

  DOI：

  10.1021/jm980202u
• 作为产物：
  描述：

  1-硝基-4-(1,1,2,2,2-五氟乙基)苯 在 铁粉 作用下， 生成 4-pentafluoroethylaniline
  参考文献：
  名称：

  Substituted alkylamine derivatives and methods of use

  摘要：

  选定的胺对预防治疗疾病有效，如血管生成介导的疾病。本发明包括新的化合物、类似物、前药和药用可接受的盐，药物组合物和预防治疗疾病和其他疾病或状况的方法，包括癌症等。本发明还涉及制造这类化合物的过程以及在此类过程中有用的中间体。

  公开号：

  US20030225106A1

文献信息

• COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1
  申请人：DODD Stephanie Kay

  公开号：US20130310395A1

  公开（公告）日：2013-11-21

  The present invention relates to compounds of formula (I): in which Y, Y 1 , R 1 , R 2 , R 3 and R 4 are defined in the Summary of the Invention; capable of inhibiting the activity of BCR-ABL1 and mutants thereof. The invention further provides a process for the preparation of compounds of the invention, pharmaceutical preparations comprising such compounds and methods of using such compounds in the treatment of cancers.

  本发明涉及式(I)的化合物：其中Y、Y1、R1、R2、R3和R4如发明摘要中所定义；能够抑制BCR-ABL1及其突变体的活性。本发明还提供了一种制备本发明化合物的方法，包括这种化合物的制药制剂以及使用这种化合物治疗癌症的方法。
• [EN] BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1<br/>[FR] DÉRIVÉS DE BENZAMIDE POUR INHIBER L'ACTIVITÉ D'ABL1, D'ABL2 ET DE BCR-ABL2
  申请人：NOVARTIS AG

  公开号：WO2013171640A1

  公开（公告）日：2013-11-21

  The present invention relates to compounds of formula (I): in which Y, Y, R, R 2, R 3 and R 4 are defined in the Summary of the Invention; capable of inhibiting the activity of BCR-ABL1 and mutants thereof. The invention further provides a process for the preparation of compounds of the invention, pharmaceutical preparations comprising such compounds and methods of using such compounds in the treatment of cancers.

  本发明涉及式(I)的化合物：其中Y、Y、R、R 2、R 3和R 4在发明摘要中有定义；能够抑制BCR-ABL1及其突变体的活性。本发明还提供了一种制备本发明化合物的方法，包括含有这种化合物的药物制剂以及使用这种化合物治疗癌症的方法。
• Substituted cyclohexylaminopyrimidines
  申请人：Hoechst Schering Agrevo

  公开号：US06197729B1

  公开（公告）日：2001-03-06

  Compounds of formula I where R1 is hydrogen, chlorine, fluorine or methyl, R2 and R3, which may be the same or different from each other, are hydrogen, halogen, cyano, (C1-C4)-alkyl, vinyl, ethynyl, (C1-C4)-alkoxy, (C1-C4)-alkoxy-(C1-C4)-alkyl, fluorovinyl or fluoroethyl, or R2 and R3 together with the linking carbon atoms form a benzo ring, and R4 is (C2-C4)-alkyl, (C2-C4)-alkenyl or (C3-C4)-alkinyl, each of which is substituted by at least two fluorine atoms and optionally substituted by C1-4-alkoxy, cyanomethoxy, (C3-C4)-alkenyloxy or (C3-C4)-alkinyloxy, are useful as pesticides, especially against insects, acarids and fungi. The invention includes a novel process for fluorinating certain pyrimidines.

  化学式I的化合物，其中R1是氢、氯、氟或甲基，R2和R3可以相同也可以不同，分别是氢、卤素、氰基、(C1-C4)-烷基、乙烯基、乙炔基、(C1-C4)-烷氧基、(C1-C4)-烷氧基-(C1-C4)-烷基、氟乙烯基或氟乙基，或者R2和R3与连接碳原子一起形成苯环，而R4是(C2-C4)-烷基、(C2-C4)-烯基或(C3-C4)-炔基，每个都至少被两个氟原子取代，并且可选地被C1-4-烷氧基、氰甲氧基、(C3-C4)-烯氧基或(C3-C4)-炔氧基取代，这些化合物可用作杀虫剂，特别是对抗昆虫、螨虫和真菌。该发明包括一种新颖的对某些嘧啶类化合物进行氟化的方法。
• Perfluoroalkylation of anilines in the presence of zinc and sulphur dioxide
  作者：Claude Wakselman、Marc Tordeux

  DOI：10.1039/c39870001701

  日期：——

  Arylamines are transformed into their ortho- and para-trifluoromethyl derivatives by the action of trifluoromethyl bromide under slight pressure in the presence of 0,15 equiv. of zinc and sulphur dioxide in dimethylformamide.

  在三氟甲基溴化物的作用下，在0.15当量的存在下，在三氟甲基溴的作用下，芳胺被转化为其邻-和对-三氟甲基衍生物。和二氧化硫在二甲基甲酰胺中的含量
• [EN] NOVEL PHTHALAMIDE DERIVATIVES<br/>[FR] NOUVEAUX DERIVES DE PHTHALAMIDE
  申请人：BAYER CROPSCIENCE AG

  公开号：WO2004000796A1

  公开（公告）日：2003-12-31

  Novel phthalamide derivatives of the formula (I) (I)wherein R1, R2, R3, R4, and R5 have the meanings given in the description, processes for their preparation, and their use as insecticidal agents in agricultural and horticultural field.

  新型邻苯二酰亚胺衍生物的化学式（I）（I），其中R1、R2、R3、R4和R5的含义如描述中所述，以及其制备过程，以及它们作为农业和园艺领域的杀虫剂的用途。