3-甲基-5-(三氟甲氧基)苯胺 | 86256-63-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 3-甲基-5-(三氟甲氧基)苯胺
• 中文别名: 3-甲基-5-(三氟甲氧基)苯胺,JRD,97
• 英文名称: 3-methyl-5-(trifluoromethoxy)aniline
• CAS: 86256-63-5
• 化学式: C₈H₈F₃NO
• mdl: MFCD09025380
• 分子量: 191.153
• InChiKey: NCXWNLUZPMBTHX-UHFFFAOYSA-N

物化性质

• 沸点：
  73℃/1mm

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险等级：
  6.1
• 海关编码：
  2922299090

反应信息

• 作为反应物：
  描述：

  3-甲基-5-(三氟甲氧基)苯胺 在 硫酸 、 sodium nitrite 作用下， 以 水 为溶剂， 以23 %的产率得到3-methyl -5-(trifluoromethoxy)phenol
  参考文献：
  名称：

  [EN] FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS
  [FR] COMPOSÉS HÉTÉROARYLE BICYCLIQUES FUSIONNÉS UTILES EN TANT QU'INHIBITEURS DE NLRP3

  摘要：

  The invention relates to novel compounds having the general formula (Ic) wherein R1, R2, R3, R8, R9, RX, A1, A2, W and n are as described herein, composition including the compounds and methods of using the compounds.

  公开号：

  WO2023066825A1
• 作为产物：
  描述：

  甲基硼酸 、 3-溴-5-(三氟甲氧基)苯胺 在 bis-triphenylphosphine-palladium(II) chloride 、 sodium carbonate 作用下， 以 乙二醇二甲醚 为溶剂， 120.0 ℃ 、1.6 MPa 条件下， 反应 1.0h， 生成 3-甲基-5-(三氟甲氧基)苯胺
  参考文献：
  名称：

  A Divergent SAR Study Allows Optimization of a Potent 5-HT_2c Inhibitor to a Promising Antimalarial Scaffold

  摘要：

  From the 13 533 chemical structures published by GlaxoSmithKline in 2010, we identified 47 quality starting points for lead optimization. One of the most promising hits was the TCMDC-139046, a molecule presenting an indoline core, which is well-known for its anxiolytic properties by interacting with serotonin antagonist receptors 5-HT2. The inhibition of this target will complicate the clinical development of these compounds as antimalarials. Herein, we present the antimalarial profile of this series and our efforts to avoid interaction with this receptor, while maintaining a good antiparasitic potency. By using a double-divergent structure-activity relationship analysis, we have obtained a novel lead compound harboring an indoline core.

  DOI：

  10.1021/ml300008j

文献信息

• [EN] N-PIPERIDIN-4-YL DERIVATIVES<br/>[FR] DÉRIVÉS DE N-PIPÉRIDINE-4-YL
  申请人：MSD OSS BV

  公开号：WO2013041457A1

  公开（公告）日：2013-03-28

  The invention relates to a N-piperidin-4-yl derivative having the general Formula I or a pharmaceutically acceptable salt thereof, to pharmaceutical compositions comprising the same and to the use of said N-piperidin-4-yl derivatives for the treatment and prevention of endometriosis, for the treatment and prevention of pre-menopausal and peri-menopausal hormone-dependent breast cancer, for contraception, or for the treatment of uterine fibroids or other menstrual-related disorders.

  该发明涉及具有一般式I的N-哌啶-4-基衍生物或其药用可接受的盐，以及包含相同的药物组合物，以及利用所述N-哌啶-4-基衍生物用于治疗和预防子宫内膜异位症，用于治疗和预防更年前和更年期激素依赖性乳腺癌，用于避孕，或用于治疗子宫肌瘤或其他与月经有关的疾病。
• An efficient synthesis of strained thio-bridged compounds via Pd(0) catalyzed intramolecular Csp2(aryl)-Csp3(alkyl) cross dehydrohalogenative coupling reaction
  作者：Mayur I. Morja、Janki J. Patel、Prakashsingh M. Chauhan、Kishor H. Chikhalia

  DOI：10.1016/j.tet.2020.131348

  日期：2020.8

  An operationally simple and efficient strategy employing palladium(0) catalyst to construct a wide range of thiobridged compounds through intramolecular Csp2(aryl)-Csp3(alkyl) cross-dehydrohalogenative coupling reaction has been reported. This methodology proceeds smoothly through six-membered palladacycles and serving as a keystone for the generation of C–C bond to furnish thiobridged derivative in

  已经报道了一种使用钯（0）催化剂通过分子内Csp 2（芳基）-Csp 3（烷基）交叉脱卤化氢偶合反应构建各种硫桥化合物的操作简单有效的策略。该方法通过六元的palladacycles顺利进行，并成为生成C–C键的基石，从而以良好或优异的产率提供硫桥化合物。
• [EN] IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE<br/>[FR] INHIBITEURS DE LA KINASE ALK2 CONTENANT DE L'IMIDAZOLE
  申请人：BIOCRYST PHARM INC

  公开号：WO2018232094A1

  公开（公告）日：2018-12-20

  Disclosed are compounds of formula (I), (II), (III), and (IV), and pharmaceutically acceptable salts thereof. The compounds are inhibitors of ALK2 kinase. Also provided are pharmaceutical compositions comprising a compound of formula (I), (II), (III), or (IV), or pharmaceutically acceptable salt thereof, and methods involving use of the compounds or pharmaceutically acceptable salts thereof and compositions in the treatment and prevention of various diseases and conditions, such as fibrodysplasia ossificans progressiva.

  揭示了化合物的公式（I）、（II）、（III）和（IV），以及它们的药用盐。这些化合物是ALK2激酶的抑制剂。还提供了包含公式（I）、（II）、（III）或（IV）的化合物或其药用盐的药物组合物，以及涉及使用这些化合物或其药用盐和组合物治疗和预防各种疾病和病况的方法，如纤维性骨化进行性疾病。
• N-PIPERIDIN-4-YL DERIVATIVES
  申请人：Huisman Ines

  公开号：US20140329822A1

  公开（公告）日：2014-11-06

  The invention relates to a N-piperidin-4-yl derivative having the general Formula I or a pharmaceutically acceptable salt thereof, to pharmaceutical compositions comprising the same and to the use of said N-piperidin-4-yl derivatives for the treatment and prevention of endometriosis, for the treatment and prevention of pre-menopausal and peri-menopausal hormone-dependent breast cancer, for contraception, or for the treatment of uterine fibroids or other menstrual-related disorders.

  本发明涉及一种具有通式I的N-哌啶-4-基衍生物或其药学上可接受的盐，以及包含该衍生物的制药组合物，以及利用该N-哌啶-4-基衍生物治疗和预防子宫内膜异位症，治疗和预防绝经前和围绝经期激素依赖性乳腺癌，用于避孕或治疗子宫肌瘤或其他与月经有关的疾病。
• Benzylester mit fluorsubstituierten Ethergruppen, Verfahren zu ihrer Herstellung und ihre Verwendung als Schädlingsbekämpfungsmittel
  申请人：BAYER AG

  公开号：EP0075146B1

  公开（公告）日：1985-10-23