2-isobutyl-5-trifluoromethylpyridine | 1191954-65-0

• 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: 2-isobutyl-5-trifluoromethylpyridine
• 英文别名: 2-Isobutyl-5-(trifluoromethyl)pyridine；2-(2-methylpropyl)-5-(trifluoromethyl)pyridine
• CAS: 1191954-65-0
• 化学式: C₁₀H₁₂F₃N
• 分子量: 203.207
• InChiKey: HUESFFOIBNJALH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-(trifluoromethyl)-2-pyridyl p-toluenesulfonate 、 ISOBUTYLMAGNESIUM BROMIDE 在 iron(III) chloride 作用下， 以 四氢呋喃 、 N-甲基吡咯烷酮 为溶剂， 以83%的产率得到2-isobutyl-5-trifluoromethylpyridine
  参考文献：
  名称：

  Heteroaromatic Sulfonates and Phosphates as Electrophiles in Iron-Catalyzed Cross-Couplings

  摘要：

  Employment of heteroaromatic tosylates and phosphates as suitable electrophiles in iron-catalyzed cross-coupling reactions with alkyl Grignard reagents is reported. These reactions are performed at low temperature allowing good functional group tolerance and full conversion is achieved within minutes. In addition, an aryl-aryl cross-coupling utilizing a heteroaryl sulfamate electrophile is reported.

  DOI：

  10.1021/ol901975u

文献信息

• PTERIDINONE COMPOUNDS AND USES THEREOF
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20190322673A1

  公开（公告）日：2019-10-24

  The present invention provides compounds of Formula I, or pharmaceutically acceptable salts thereof, pharmaceutical compositions thereof, and methods of use thereof for treating cellular proliferative disorders (e.g., cancer).

  本发明提供了式I的化合物或其药学上可接受的盐，以及用于治疗细胞增殖性疾病（例如癌症）的药物组合物和使用方法。
• Manganese-Catalyzed Kumada Cross-Coupling Reactions of Aliphatic Grignard Reagents with N-Heterocyclic Chlorides
  作者：Ellen Matson、Brittney Petel、Merjema Purak

  DOI：10.1055/s-0037-1610200

  日期：2018.8

  manganese(II) chloride for the catalytic generation of C(sp2)–C(sp3) bonds via Kumada cross-coupling. Rapid and selective formation of 2-alkylated N-heterocyclic complexes were observed in high yields with use of 3 mol% MnCl2THF1.6 and under ambient reaction conditions (21 °C, 15 min to 20 h). Manganese-catalyzed cross-coupling is tolerant toward both electron-donating and electron-withdrawing functional

  在此，我们报告了使用氯化锰 (II) 通过 Kumada 交叉偶联催化生成 C(sp2)–C(sp3) 键。在使用 3 mol% MnCl2THF1.6 和环境反应条件（21 °C，15 分钟至 20 小时）下，观察到 2-烷基化 N-杂环配合物的快速和选择性形成。锰催化的交叉偶联对吡啶环 5 位的给电子和吸电子官能团都具有耐受性，后者导致反应速率增加和所需亲核试剂的量减少。使用这种对生物和环境无害的金属盐作为 C-C 键形成的催化剂，突出了其作为药学活性 N-杂环分子（例如吡啶、吡嗪）后期功能化催化剂的潜力。
• [EN] ISOINDOLINES AS HDAC INHIBITORS<br/>[FR] ISOINDOLINES UTILISÉES COMME INHIBITEURS DE HDAC
  申请人：FORMA THERAPEUTICS INC

  公开号：WO2019204550A1

  公开（公告）日：2019-10-24

  The present disclosure relates to inhibitors of zinc-dependent histone deacetylases (HDACs), having the formula: (I) wherein Z, X1, X2, Y1, Y2, Y3, L, Z, and R are described herein.

  本公开涉及抑制锌依赖性组蛋白去乙酰化酶（HDACs）的抑制剂，其化学式如下：（I）其中Z、X1、X2、Y1、Y2、Y3、L、Z和R如本文所述。
• [EN] OXALAMIDE HETEROBYCYCLIC COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY<br/>[FR] COMPOSÉS OXALAMIDE HÉTÉROBYCYCLIQUES ET COMPOSITIONS POUR LE TRAITEMENT D'AFFECTIONS ASSOCIÉES À UNE ACTIVITÉ DE STING
  申请人：IFM DUE INC

  公开号：WO2021067805A1

  公开（公告）日：2021-04-08

  This disclosure features chemical entities (e.g., a compound or a pharmaceutically acceptable salt, and/or hydrate, and/or cocrystal, and/or drug combination of the compound) that inhibit (e.g., antagonize) Stimulator of Interferon Genes (STING). Said chemical entities are useful, e.g., for treating a condition, disease or disorder in which increased (e.g., excessive) STING activation (e.g., STING signaling) contributes to the pathology and/or symptoms and/or progression of the condition, disease or disorder (e.g., cancer) in a subject (e.g., a human). This disclosure also features compositions containing the same as well as methods of using and making the same.

  本公开涉及化学实体（例如，化合物或药用盐，和/或水合物，和/或共晶，和/或化合物的药物组合），其抑制（例如，拮抗）干扰素基因激活器（STING）。所述化学实体可用于治疗条件、疾病或障碍，其中增加（例如，过度）STING激活（例如，STING信号传导）对主体（例如，人类）的病理和/或症状和/或疾病或障碍的进展有贡献。本公开还涉及含有相同化学实体的组合物，以及使用和制备这些组合物的方法。
• COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY
  申请人：IFM Due, Inc.

  公开号：US20220024906A1

  公开（公告）日：2022-01-27

  This disclosure features chemical entities (e.g., a compound or a pharmaceutically acceptable salt, and/or hydrate, and/or cocrystal, and/or drug combination of the compound) that inhibit (e.g., antagonize) Stimulator of Interferon Genes (STING). Said chemical entities are useful, e.g., for treating a condition, disease or disorder in which increased (e.g., excessive) STING activation (e.g., STING signaling) contributes to the pathology and/or symptoms and/or progression of the condition, disease or disorder (e.g., cancer) in a subject (e.g., a human). This disclosure also features compositions containing the same as well as methods of using and making the same.

  本公开涉及化学实体（例如，化合物或药用盐，和/或水合物，和/或共晶体，和/或该化合物的药物组合），其抑制（例如，拮抗）干扰素基因激活器（STING）。所述化学实体可用于治疗病症、疾病或疾病，其中增加（例如，过量）STING激活（例如，STING信号传导）导致病理和/或症状和/或病症的进展（例如，癌症）在受试者（例如，人类）中。本公开还涉及含有相同化学实体的组合物，以及使用和制备该组合物的方法。