3-methyl-5-(4-(trifluoromethyl)phenyl)pyridin-2-amine | 930121-92-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-methyl-5-(4-(trifluoromethyl)phenyl)pyridin-2-amine
• 英文别名: 3-Methyl-5-(4-trifluoromethyl-phenyl)-pyridin-2-ylamine；3-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine
• CAS: 930121-92-9
• 化学式: C₁₃H₁₁F₃N₂
• mdl: MFCD18418293
• 分子量: 252.239
• InChiKey: PIXWZKDBWYXZQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.153
• 拓扑面积：
  38.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-三氟甲基苯硼酸 、 2-氨基-3-甲基-5-碘吡啶 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 caesium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 3.0h， 以99%的产率得到3-methyl-5-(4-(trifluoromethyl)phenyl)pyridin-2-amine
  参考文献：
  名称：

  WO2021080015A5

  摘要：

  公开号：

  WO2021080015A5

文献信息

• Novel compounds as metabotropic glutamate receptor antagonists
  申请人：McArthur Gatti Silvia

  公开号：US20070072879A1

  公开（公告）日：2007-03-29

  The present invention relates to compounds of formula (I) wherein A, E G, J, L, M, R 1 , R 2 , and R 3 are as defined in the specification and claims. The invention also relates to pharmaceutical compositions containing such compounds and methods for preparing the compounds and compositions. The compounds are metabotropic glutamate receptor antagonists and are useful for the treatment of a variety of CNS disorders.

  本发明涉及具有以下结构的化合物（I）其中A、E、G、J、L、M、R1、R2和R3如规范和索赔中所定义。该发明还涉及含有这种化合物的药物组合物以及制备这些化合物和组合物的方法。这些化合物是代谢型谷氨酸受体拮抗剂，可用于治疗各种中枢神经系统疾病。
• Intermolecular [5+2] Annulation between 1‐Indanones and Internal Alkynes by Rhodium‐Catalyzed C–C Activation
  作者：Rui Zhang、Ying Xia、Guangbin Dong

  DOI：10.1002/anie.202106007

  日期：2021.9.6

  Herein, we report a [5+2] cycloaddition between readily accessible 1-indanones and internal alkynes through Rh-catalyzed activation of less strained C−C bonds. The reaction is enabled by a strongly σ-donating NHC ligand and a carefully modified temporary directing group. A wide range of functional groups is tolerated, and the method provides straightforward access to diverse benzocycloheptenones that

  在此，我们报道了通过 Rh 催化的张力较小的 C−C 键活化，容易获得的 1-茚满酮和内部炔烃之间发生 [5+2] 环加成反应。该反应是通过强 σ 供体 NHC 配体和精心修饰的临时导向基团实现的。该方法可以耐受多种官能团，并且可以直接获得多种苯并环庚烯酮，而这些是其他方法难以获得的。反应机制的 DFT 研究表明迁移插入是周转限制步骤，并表明过渡态中有益的 π-π 相互作用。
• Selective Activation of Unstrained C(O)–C Bond in Ketone Suzuki–Miyaura Coupling Reaction Enabled by Hydride-Transfer Strategy
  作者：Jing Zhong、Wuxin Zhou、Xufei Yan、Ying Xia、Haifeng Xiang、Xiangge Zhou

  DOI：10.1021/acs.orglett.2c00110

  日期：2022.2.18

  A Rh(I)-catalyzed ketone Suzuki–Miyaura coupling reaction of benzylacetone with arylboronic acid is developed. Selective C(O)–C bond activation, which employs aminopyridine as a temporary directing group and ethyl vinyl ketone as a hydride acceptor, occurs on the alkyl chain containing a β-position hydrogen. A series of acetophenone products were obtained in yields up to 75%.

  开发了 Rh(I) 催化的酮 Suzuki-Miyaura 与苯甲基丙酮与芳基硼酸的偶联反应。选择性 C(O)-C 键活化，使用氨基吡啶作为临时导向基团，乙基乙烯基酮作为氢化物受体，发生在含有 β 位氢的烷基链上。得到一系列苯乙酮产品，收率高达 75%。
• Compounds as metabotropic glutamate receptor antagonists
  申请人：Hoffmann-La Roche Inc.

  公开号：US07504404B2

  公开（公告）日：2009-03-17

  The present invention relates to compounds of formula (I) wherein A, E G, J, L, M, R1, R2, and R3 are as defined in the specification and claims. The invention also relates to pharmaceutical compositions containing such compounds and methods for preparing the compounds and compositions. The compounds are metabotropic glutamate receptor antagonists and are useful for the treatment of a variety of CNS disorders.

  本发明涉及式（I）的化合物，其中A、E、G、J、L、M、R1、R2和R3如说明书和权利要求所定义。本发明还涉及含有这种化合物的制药组合物和制备这种化合物及组合物的方法。这些化合物是代谢型谷氨酸受体拮抗剂，可用于治疗多种中枢神经系统疾病。
• SUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS
  申请人：Gatti McArthur Silvia

  公开号：US20120041002A1

  公开（公告）日：2012-02-16

  The present invention relates to compounds of formula (I) wherein A, E G, J, L, M, R 1 , R 2 , and R 3 are as defined in the specification and claims. The invention also relates to pharmaceutical compositions containing such compounds and methods for preparing the compounds and compositions. The compounds are metabotropic glutamate receptor antagonists and are useful for the treatment of a variety of CNS disorders.

  本发明涉及式（I）的化合物，其中A，E，G，J，L，M，R1，R2和R3如规范和权利要求中所定义。该发明还涉及含有这种化合物的药物组合物以及制备这种化合物和组合物的方法。这些化合物是代谢型谷氨酸受体拮抗剂，可用于治疗多种中枢神经系统疾病。