2,6-双三氟甲基苯胺 | 313-13-3

• 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: 2,6-双三氟甲基苯胺
• 中文别名: 2,6-二三氟甲基苯胺；2,6-双(三氟甲基)苯胺
• 英文名称: 2,6-Bis-trifluormethyl-anilin
• 英文别名: 2,6-bis-trifluoromethyl-aniline；2,6-Bis(trifluoromethyl)aniline
• CAS: 313-13-3
• 化学式: C₈H₅F₆N
• mdl: MFCD01313162
• 分子量: 229.125
• InChiKey: KEYVECAMLDRXSJ-UHFFFAOYSA-N

物化性质

• 沸点：
  37 °C(Press: 0.2 Torr)
• 密度：
  1.4645 g/cm3(Temp: 28 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 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,P280
• 危险性描述：
  H317

反应信息

• 作为反应物：
  描述：

  2,6-双三氟甲基苯胺 生成 间二三氟甲苯
  参考文献：
  名称：

  Yagupol'skii,L.M. et al., Journal of general chemistry of the USSR, 1969, vol. 39, p. 2007 - 2010

  摘要：

  DOI：
• 作为产物：
  描述：

  1,2,3-苯三甲酸 在 氢氧化钾 、 sulfur tetrafluoride 、 氨 、 溴 作用下， 生成 2,6-双三氟甲基苯胺
  参考文献：
  名称：

  Yagupol'skii,L.M. et al., Journal of general chemistry of the USSR, 1969, vol. 39, p. 2007 - 2010

  摘要：

  DOI：

文献信息

• Pd-Catalyzed Cross-Coupling of Hindered, Electron-Deficient Anilines with Bulky (Hetero)aryl Halides Using Biaryl Phosphorinane Ligands
  作者：Alison M. Wilders、Jeremy Henle、Michael C. Haibach、Rafal Swiatowiec、Jeffrey Bien、Rodger F. Henry、Shardrack O. Asare、Amanda L. Wall、Shashank Shekhar

  DOI：10.1021/acscatal.0c04280

  日期：2020.12.18

  ligands for Pd-catalyzed coupling of hindered, electron-deficient anilines with hindered (hetero)aryl halides, a challenging class of C–N cross-coupling reaction with few precedents. Broad substrate scope and functional group tolerance were observed under the reaction conditions. Computational studies suggest that ligands containing phenyl substituents provide greater activity through more favorable

  由联芳基伯膦加成反式，反式衍生的联芳基膦烷配体-二亚苄基丙酮（AlisonPhos和AliPhos）形成受阻电子缺陷苯胺与受阻（杂）芳基卤化物的钯催化偶联的高活性配体，这是一类具有挑战性的C-N交叉偶联反应，几乎没有先例。在反应条件下观察到较宽的底物范围和官能团耐受性。计算研究表明，与烷基取代的膦亚胺相比，含苯基取代基的配体通过更有利的苯胺键合在催化循环中提供更大的活性。在1,1,1,1,3,3,3-六氟异丙醇（HFIP）中，通过将伯联芳基膦在1,1,1,3,3,3-六氟异丙醇（HFIP）中的磷-迈克尔加成反应，合成联芳基膦酸酯的一般和高产程序还描述了相对温和的条件（23–110°C）。
• Cyclic diamine compound and pharmaceutical containing the same
  申请人：Shibuya Kimiyuki

  公开号：US20050165026A1

  公开（公告）日：2005-07-28

  The present invention relates to 2-[4-[2-(7-trifluoromethylbenzoxazol-2-ylthio)ethyl]piperazin-1-yl]-N-[4-hydroxy-2,6-bis(trifluoromethyl)phenyl]acetamide or salt thereof, and an intermediate for the preparation thereof. The above-described compound has both an inhibitory action on ACAT in the artery wall and remarkably high metabolic resistance in human liver microsomes, and exhibits excellent effects for suppressing lipids depression in aorta in vivo so that it is useful as a highly effective preventive or remedy for hyperlipidemia and arteriosclerosis with less side effects.

  本发明涉及2-[4-[2-(7-三氟甲基苯并噁唑-2-基硫)乙基]哌嗪-1-基]-N-[4-羟基-2,6-双(三氟甲基)苯基]乙酰胺或其盐，以及其制备的中间体。上述化合物对动脉壁中的ACAT具有抑制作用，并且在人类肝微粒体中具有显著高的代谢抵抗力，在体内对抑制主动脉中的脂质沉积表现出卓越的效果，因此它可作为一种高效的预防或治疗高脂血症和动脉硬化的药物，副作用较少。
• [EN] PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF<br/>[FR] DÉRIVATIFS DE PYRIDINESULFONAMIDE POUVANT ÊTRE UTILISÉS COMME MODULATEURS TRAP1 ET LEURS UTILISATIONS
  申请人：AMATHUS THERAPEUTICS INC

  公开号：WO2021188907A1

  公开（公告）日：2021-09-23

  The present disclosure provides compounds of Formula (I): and pharmaceutically acceptable salts, solvates, hydrates, polymorphs, co-crystals, tautomers, stereoisomers, isotopically labeled compounds, and prodrugs thereof. The provided compounds may be tumor necrosis factor ("TNF") receptor associated protein 1 ("TRAP1") modulators (e.g., TRAP1 activators). The provided compounds may also rescue the activity in PTEN-induced kinase 1 ("PINK1") loss of function contexts. The provided compounds may also improve mitochondrial health, function, quality, quantity, and/or activity, and/or reduce the production of reactive oxygen species. The provided compounds may also refold or solubilize aggregated or misfolded proteins such as a-synuclein. The present disclosure also provides pharmaceutical compositions comprising the provided compounds; kits comprising the provided compounds or pharmaceutical compositions; and methods of using the provided compounds and pharmaceutical compositions (e.g., for treating a disease in a subject in need thereof).

  本公开提供了化合物的化学式（I）和药学上可接受的盐、溶剂化合物、水合物、多晶型、共晶体、互变异构体、立体异构体、同位素标记化合物以及其前药。所提供的化合物可能是肿瘤坏死因子（"TNF"）受体相关蛋白1（"TRAP1"）调节剂（例如，TRAP1激活剂）。所提供的化合物还可能恢复PTEN诱导的激酶1（"PINK1"）功能丧失情况下的活性。所提供的化合物还可能改善线粒体的健康、功能、质量、数量和/或活性，和/或减少活性氧自由基的产生。所提供的化合物还可能对聚集或错误折叠的蛋白质（如α-突触核蛋白）进行重折叠或溶解。本公开还提供了包括所提供化合物的药物组合物；包括所提供化合物或药物组合物的试剂盒；以及使用所提供的化合物和药物组合物的方法（例如，用于治疗需要的受试者的疾病）。
• [EN] BENZYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF<br/>[FR] ACIDES BENZYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIQUES, COMPOSITIONS PHARMACEUTIQUES ET LEURS UTILISATIONS
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2018077699A1

  公开（公告）日：2018-05-03

  The present invention relates to compounds of general formula (I) wherein the groups R, R1, R2, R3, m and n are defined as in claim 1, which have valuable pharmacological properties, in particular bind to the GPR40 receptor and modulate its activity. The compounds are suitable for treatment and prevention of diseases which can be influenced by this receptor, such as metabolic diseases, in particular diabetes type 2. Furthermore, the invention relates to novel intermediates, useful for the synthesis of compounds of formula (I).

  本发明涉及一般式(I)的化合物，其中团R、R1、R2、R3、m和n的定义如权利要求书中所述，该化合物具有有价值的药理特性，特别是与GPR40受体结合并调节其活性。这些化合物适用于治疗和预防受该受体影响的疾病，如代谢性疾病，特别是2型糖尿病。此外，本发明涉及用于合成一般式(I)化合物的新中间体。
• Process for producing compound, catalyst component for addition polymerization, process for producing catalyst for addition polymerization, and process for producing addition polymer
  申请人：Oshima Hideki

  公开号：US20050222351A1

  公开（公告）日：2005-10-06

  There are provided (1) a process for producing a compound, which comprises the step of contacting a compound (A) defined by the formula, M 1 L 1 3 , a compound (B) defined by the formula, R 1 t-1 TH, and a compound (C) defined by the formula, R 2 t-2 TH 2 ; (2) a catalyst component for addition polymerization, which comprises a compound produced by said process; (3) a process for producing a polymerization catalyst, which comprises the step of contacting said catalyst component with a transition metal compound and an optional organoaluminum compound; and (4) a process for producing an addition polymer, which comprises the step of addition polymerizing an addition polymerizable monomer in the presence of a catalyst produced by said process.

  提供以下内容：（1）生产化合物的过程，包括将由M1L13公式定义的化合物（A）、由R1t-1TH公式定义的化合物（B）和由R2t-2TH2公式定义的化合物（C）接触的步骤；（2）用于加成聚合的催化剂组分，包括通过上述过程产生的化合物；（3）生产聚合催化剂的过程，包括将催化剂组分与过渡金属化合物和可选的有机铝化合物接触的步骤；（4）生产加成聚合物的过程，包括在上述过程产生的催化剂存在下加成聚合可聚合单体的步骤。