4-氟-2-(三氟甲基)苯乙腈 | 80141-94-2

• 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-氟-2-(三氟甲基)苯乙腈
• 中文别名: 5-氟-2-(三氟甲基)苯基乙腈
• 英文名称: (4-fluoro-2-trifluoromethyl-phenyl)-acetonitrile
• 英文别名: 4-Fluoro-2-(trifluoromethyl)phenylacetonitrile；2-[4-fluoro-2-(trifluoromethyl)phenyl]acetonitrile
• CAS: 80141-94-2
• 化学式: C₉H₅F₄N
• mdl: MFCD00061182
• 分子量: 203.139
• InChiKey: YTIAVOXEDRIPNR-UHFFFAOYSA-N

物化性质

• 沸点：
  222-223 °C (lit.)
• 密度：
  1.364 g/mL at 25 °C (lit.)
• 闪点：
  226 °F
• 稳定性/保质期：

  远离氧化物。

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险等级：
  TOXIC
• 危险品标志：
  T
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R20/21/22
• WGK Germany：
  3
• 海关编码：
  2926909090
• 危险品运输编号：
  3276

反应信息

• 作为反应物：
  描述：

  4-氟-2-(三氟甲基)苯乙腈 、 (R)-(-)-2-氨基-1-戊醇 在 吡啶 作用下， 以 二甲基亚砜 为溶剂， 反应 0.25h， 以1.5%的产率得到[4-(R)-(1-hydroxymethyl-butylamino)-2-trifluoromethyl-phenyl]-acetonitrile
  参考文献：
  名称：

  [EN] ANDROGEN RECEPTOR MODULATORS
  [FR] MODULATEURS DU RECEPTEUR ANDROGENE

  摘要：

  由于雄激素受体活性紊乱引起的疾病的治疗使用化合物的公式(I)：（如本文所定义），用于治疗由雄激素受体活性紊乱引起的疾病：公式(I)。还提供了公式(I)的分离化合物。

  公开号：

  WO2005042464A1

文献信息

• Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives
  申请人：Galley Guido

  公开号：US20070197621A1

  公开（公告）日：2007-08-23

  The present invention relates a method for treating depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder, stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders such as Alzheimer's disease, epilepsy, migraine, hypertension, substance abuse and metabolic disorders such as eating disorders, diabetes, diabetic complications, obesity, dyslipidemia, disorders of energy consumption and assimilation, disorders and malfunction of body temperature homeostasis, disorders of sleep and circadian rhythm, and cardiovascular disorders which comprises administering to an individual a therapeutically effective amount of a compound of formula I wherein R, R 1 , R 2 , A and n are as defined in the specification and to their pharmaceutically active salts. The invention also relates to novel compounds of formula I, pharmaceutical compositions containing them, and methods for their preparation.

  本发明涉及一种治疗抑郁症、焦虑症、双相情感障碍、注意力缺陷多动障碍、压力相关障碍、精神分裂症等精神障碍、帕金森病等神经系统疾病、阿尔茨海默病等神经退行性疾病、癫痫、偏头痛、高血压、物质滥用、进食障碍、糖尿病、糖尿病并发症、肥胖症、血脂异常、能量消耗和吸收障碍、体温稳态障碍、睡眠和昼夜节律障碍以及心血管疾病的方法，包括向个体施用化合物I的治疗有效量，其中R、R1、R2、A和n如规范中所定义，以及其药用活性盐。该发明还涉及化合物I的新颖化合物、含有它们的药物组合物以及它们的制备方法。
• [EN] IMIDAZOLYLPYRAZINE DERIVATIVES<br/>[FR] DÉRIVÉS D'IMIDAZOLYLPYRAZINE
  申请人：EISAI R&D MAN CO LTD

  公开号：WO2010098495A1

  公开（公告）日：2010-09-02

  To provide a novel low-molecular-weight compound that inhibits the production of amyloid-β (Aβ ). A compound represented by the formula [I]: or a pharmacologically acceptable salt or ester thereof, wherein R1 and R2 are the same or different and each represent a substituent selected from the following Substituent Group a1; m represents an integer of 0 to 3; n represents an integer of 0 to 2; X1 represents a single bond or the like; X2 represents a single bond or the like; Ring A represents a five-membered aromatic heterocyclic group or the like which contains two or more nitrogen atoms and may have 1 to 3 substituents selected from the following Substituent Group b1; and Ring B represents a monocyclic or fused cyclic aromatic ring group such as the formula [2] which may have 1 to 3 substituents selected from the following Substituent Group c1, is effective as a therapeutic agent for a disease such as Alzheimer's disease. Substituent Group a1: a C1-6 alkyl group and the like Substituent Group b1: a C1-6 alkyl group and the like Substituent Group c1: an amino group and the like

  提供一种新型低分子量化合物，该化合物能够抑制淀粉样蛋白-β（Aβ）的产生。表示为化学式[I]的化合物，或其药理学上可接受的盐或酯，其中R1和R2相同或不同，每个代表以下取代基团a1中选择的取代基；m代表0到3的整数；n代表0到2的整数；X1代表单键或类似物；X2代表单键或类似物；环A代表含有两个或更多氮原子并且可能具有1到3个取代基团b1中选择的取代基的五元芳香杂环基团或类似物；环B代表可能具有1到3个取代基团c1中选择的取代基的单环或融合环芳香环基团，如化学式[2]所示，对于阿尔茨海默病等疾病具有治疗作用。取代基团a1：C1-6烷基基团等；取代基团b1：C1-6烷基基团等；取代基团c1：氨基团等。
• Novel fluorescent carbazole derivative
  申请人：——

  公开号：US20030023099A1

  公开（公告）日：2003-01-30

  The object of this invention is to provide an illuminant, which can easily be produced at low cost. This invention is a carbazole derivative luminescent compound having a carbazole ring skeleton, to the nitrogen atom of which is attached an electron-donating group, and to the carbon atom of which is attached an electron-attracting group at the third position to the nitrogen atom.

  这项发明的目的是提供一种发光剂，可以以低成本轻松生产。这项发明是一种具有咔唑环骨架的咔唑衍生物发光化合物，其中咔唑环骨架的氮原子上连接有一个给电子基团，而连接到该氮原子的第三位置的碳原子上连接有一个吸电子基团。
• Androgen Receptor Modulators
  申请人：Jernstedt Henrik

  公开号：US20080058383A1

  公开（公告）日：2008-03-06

  Treatment of Diseases caused by Disturbances of the Activity of the Androgen Receptor uses of compounds of Formula (I): (as defined herein), for the treatment of diseases caused by disturbances of the activity of androgen receptor are provided: Formula (I). Isolated compounds of Formula (I) are also provided.

  本发明提供了使用式(I)化合物（如本文所定义的）治疗由雄激素受体活性紊乱引起的疾病的方法：式(I)。本发明还提供了分离的式(I)化合物。
• [EN] PROTEIN DEGRADATION AGENT COMPOUND PREPARATION METHOD AND APPLICATION<br/>[FR] PROCÉDÉ DE PRÉPARATION ET APPLICATION DE COMPOSÉ D'AGENT DE DÉGRADATION DE PROTÉINES<br/>[ZH] 一种蛋白降解剂化合物的制备方法和应用
  申请人：SHANGHAI JEMINCARE PHARMACEUTICALS CO LTD

  公开号：WO2021129653A1

  公开（公告）日：2021-07-01

  提供一种蛋白降解剂化合物的制备方法和应用，具体地，提供式（Ⅰ）所示化合物及其药效上可接受的盐，以及该化合物作为雄激素受体（AR）降解的应用。