4-溴-3,5-双(三氟甲基)苯胺 | 268733-18-2

• 物质功能分类: 有机原料 - 氨基化合物
• 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: 4-溴-3,5-双(三氟甲基)苯胺
• 中文别名: 3,5-二三氟甲基-4-溴苯胺
• 英文名称: 4-bromo-3,5-bis(trifluoromethyl)benzenamine
• 英文别名: 4-bromo-3,5-bis-(trifluoromethyl)aniline；4-bromo-3,5-bis(trifluoromethyl)aniline；4-bromo-3,5-bis-trifluoromethyl aniline
• CAS: 268733-18-2
• 化学式: C₈H₄BrF₆N
• 分子量: 308.021
• InChiKey: ZMVAVUAHKPGYTF-UHFFFAOYSA-N

物化性质

• 熔点：
  78-80°C
• 沸点：
  211℃
• 密度：
  1.760
• 闪点：
  81℃

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  16
• 可旋转键数：
  0
• 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：
  7

安全信息

• 海关编码：
  2921420090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  4-溴-3,5-双(三氟甲基)苯胺 在 Oxone 、 disodium hydrogenphosphate 、 四丁基硫酸氢铵 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 1.0h， 以73.3%的产率得到2-bromo-5-nitro-1,3-bis(trifluoromethyl)benzene
  参考文献：
  名称：

  Asymmetric Diamine Compounds Containing Two Functional Groups and Polymers Therefrom

  摘要：

  本发明涉及一种新型二胺化合物，其中引入了两个不对称的取代基R和R'，以及其聚合物。该聚合物在有机溶剂中具有出色的溶解性，并在酰亚胺化后易于加工，从而形成具有优越热性能、机械性能和光学性能的适用于电气、电子或光学材料的适当薄膜。

  公开号：

  US20150045481A1
• 作为产物：
  描述：

  间二(三氟甲基)苯胺 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以47%的产率得到2-溴-3,5-双(三氟甲基)苯胺
  参考文献：
  名称：

  Discovery of novel 2-hydroxydiarylamide derivatives as TMPRSS4 inhibitors

  摘要：

  TMPRSS4 is a novel type II transmembrane serine protease that has been implicated in the invasion and metastasis of colon cancer cells. In this study, a novel series of 2-hydroxydiarylamide derivatives were synthesized and evaluated for inhibiting TMPRSS4 serine protease activity and suppressing cancer cell invasion. These derivatives demonstrated good inhibitory activity against TMPRSS4 serine protease, which correlated with the promising anti-invasive activity of colon cancer cells overexpressing TMPRSS4. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.01.055

文献信息

• [EN] 3-(PYRIDIN-3-YL)-ACRYLAMIDE AND N-(PYRIDIN-3-YL)-ACRYLAMIDE DERIVATIVES AND THEIR USE AS PAK OR NAMPT MODULATORS<br/>[FR] DÉRIVÉS 3-(PYRIDIN-3-YL)-ACRYLAMIDE ET N-(PYRIDIN-3-YL)-ACRYLAMIDE ET LEUR UTILISATION COMME MODULATEURS DE PAK OU NAMPT
  申请人：KARYOPHARM THERAPEUTICS INC

  公开号：WO2017031213A1

  公开（公告）日：2017-02-23

  The invention generally relates to cyclic compounds and, more particularly, to a compound represented by Structural Formula I: or a pharmaceutically acceptable salt thereof and pharmaceutical compositions comprising the multicyclic compounds. The invention also relates to a method for treating a disease or disorder selected from cancer (e.g., lymphoma, such as mantle cell lymphoma), a neurodegenerative disease, an inflammatory diseases or an immune system disease (e.g., a T- Cell mediated autoimmune diseases) in a subject in need thereof. The method comprises administering to a subject in need thereof a therapeutically effective amount of a compound of the invention, or a pharmaceutically acceptable salt thereof, or a composition comprising a compound of the invention, or a pharmaceutically acceptable salt thereof.

  该发明通常涉及环状化合物，更具体地涉及由结构式I表示的化合物：或其药学上可接受的盐以及包含多环化合物的药物组合物。该发明还涉及一种治疗癌症（例如淋巴瘤，如边缘区淋巴瘤）、神经退行性疾病、炎症性疾病或免疫系统疾病（例如T细胞介导的自身免疫疾病）的方法，该方法包括向需要的受试者施用该发明的化合物或其药学上可接受的盐的治疗有效量，或者包括该发明的化合物或其药学上可接受的盐的组合物。
• Reductive Etherification via Anion-Binding Catalysis
  作者：Chenfei Zhao、Christopher A. Sojdak、Wazo Myint、Daniel Seidel

  DOI：10.1021/jacs.7b05832

  日期：2017.8.2

  Reductive condensations of alcohols with aldehydes/ketones to generate ethers are catalyzed by a readily accessible thiourea organocatalyst that operates in combination with HCl. 1,1,3,3-tetramethyldisiloxane serves as a convenient reducing reagent. This strategy is applicable to challenging substrate combinations and exhibits functional group tolerance. Competing reductive homocoupling of the carbonyl

  醇与醛/酮的还原缩合生成醚是由易于获得的硫脲有机催化剂催化的，该催化剂与 HCl 结合使用。1,1,3,3-四甲基二硅氧烷用作方便的还原剂。该策略适用于具有挑战性的底物组合并表现出官能团耐受性。羰基组分的竞争性还原均偶联受到抑制。
• 2-HYDROXYARYLAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER CONTAINING SAME AS ACTIVE INGREDIENT
  申请人：Korea Research Institute of Bioscience and Biotechnology

  公开号：US20140221411A1

  公开（公告）日：2014-08-07

  The present invention relates to a 2-hydroxyarylamide derivative or a pharmaceutically acceptable salt thereof, a preparation method thereof, and a pharmaceutical composition for preventing or treating cancer comprising the same as an active ingredient. The 2-hydroxyarylamide derivative prepared by the present invention is excellent in the inhibition of the activity of TMPRSS4 serine protease and the suppression of the infiltration of TMPRSS4-expressed cancer cells, and thus can be useful as a composition for preventing or treating cancer by inhibiting TMPRSS4 over-expressed in cancer cells, particularly, colorectal cancer, lung cancer, breast cancer, prostate cancer, ovarian cancer, pancreatic cancer, or stomach cancer cells.

  本发明涉及一种2-羟基芳酰胺衍生物或其药用可接受的盐，其制备方法，以及作为活性成分的预防或治疗癌症的药物组合物。本发明制备的2-羟基芳酰胺衍生物在抑制TMPRSS4丝氨酸蛋白酶的活性和抑制TMPRSS4表达的癌细胞浸润方面表现出色，因此可以作为一种通过抑制癌细胞中TMPRSS4过度表达的组合物，特别是结肠癌、肺癌、乳腺癌、前列腺癌、卵巢癌、胰腺癌或胃癌细胞的预防或治疗癌症的组合物。
• Highly Acidic Conjugate‐Base‐Stabilized Carboxylic Acids Catalyze Enantioselective oxa‐Pictet–Spengler Reactions with Ketals
  作者：Zhengbo Zhu、Minami Odagi、Chenfei Zhao、Khalil A. Abboud、Helmi Ulrika Kirm、Jaan Saame、Märt Lõkov、Ivo Leito、Daniel Seidel

  DOI：10.1002/anie.201912677

  日期：2020.1.27

  accessible chiral carboxylic acid catalyst exerts control over asymmetric cyclizations of acyclic ketone-derived trisubstituted oxocarbenium ions, thereby providing access to highly enantioenriched dihydropyran products containing a tetrasubstituted stereogenic center. The high acidity of the carboxylic acid catalyst, which exceeds that of the well-known chiral phosphoric acid catalyst TRIP, is largely

  无环酮衍生的氧碳鎓离子作为中间体参与许多可提供有价值产物的反应，然而，到目前为止，它们仍在努力进行不对称催化。我们报告说，一种容易获得的手性羧酸催化剂对无环酮衍生的三取代氧碳鎓离子的不对称环化产生控制，从而提供了对高对映体富集的含有四取代立体异构中心的二氢吡喃产品的访问。羧酸催化剂的高酸度超过了众所周知的手性磷酸催化剂TRIP的酸度，很大程度上是由于通过分子内阴离子键合到硫脲位点上的羧酸盐共轭碱的稳定化而产生的。
• N-PHENYL-METHANAMINE DERIVATIVE AND PESTICIDE CONTAINING IT
  申请人：Morita Masayuki

  公开号：US20100179172A1

  公开（公告）日：2010-07-15

  A novel pesticide is provided. The present invention provides a pesticide containing, as an active ingredient, an N-phenyl-methanamine derivative represented by the formula (I) or its salt: wherein R 1 is alkyl which may be substituted, etc.; each of R 2 , R 3 , R 4 and R 6 which are independent of one another, is hydrogen, halogen, alkyl which may be substituted, etc.; R 5 is haloalkyl or halogen; each of R 7 and R 8 which are independent of each other, is hydrogen, cyano, alkyl, etc.; R 9 is alkyl, cycloalkyl, etc.; m is from 0 to 1 and n is from 0 to 4.

  提供了一种新型杀虫剂。本发明提供了一种杀虫剂，其含有如下式(I)所表示的N-苯基甲胺衍生物或其盐作为活性成分：其中，R1是可以被取代的烷基等；R2、R3、R4和R6分别独立地是氢、卤素、可以被取代的烷基等；R5是卤代烷基或卤素；R7和R8分别独立地是氢、氰基、烷基等；R9是烷基、环烷基等；m为0至1，n为0至4。