4-amino-5,6-dimethyl-2-(trifluoromethyl)pyridine | 340809-49-6

• 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: 4-amino-5,6-dimethyl-2-(trifluoromethyl)pyridine
• 英文别名: 2-(Trifluoromethyl)-5,6-dimethylpyridine-4-amine；2,3-dimethyl-6-(trifluoromethyl)pyridin-4-amine
• CAS: 340809-49-6
• 化学式: C₈H₉F₃N₂
• 分子量: 190.168
• InChiKey: HQGZZCAIKMRYLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  38.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-amino-5,6-dimethyl-2-(trifluoromethyl)pyridine 在 硫酸 、 sodium nitrite 、 溶剂黄146 作用下， 以 水 为溶剂， 反应 1.67h， 以77%的产率得到4-methyl-6-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridine
  参考文献：
  名称：

  Synthesis of 5-alkyl-4-amino-2-(trifluoromethyl)pyridines and their transformation into trifluoromethylated 1 H -pyrazolo[4,3- c ]pyridines

  摘要：

  5-Alkyl-4-amino-2-(trifluoromethyl)pyridines were prepared in good yields starting from the corresponding pyridinols either using condensation with tosyl isocyanate or by alkylation with 2-chloroacetamide and subsequent Smiles type rearrangement. The cyclisation of diazonium salts, generated from 5-alkyl-4-amino-2-(trifluoromethyl)pyridines afforded trifluoromethylated 1H-pyrazolo[4,3-c] pyri dines. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00024-2
• 作为产物：
  描述：

  5,6-dimethyl-2-(trifluoromethyl)-4-pyridinol 在 对甲基苯磺酰异氰酸酯 、 硫酸 作用下， 以 甲苯 为溶剂， 反应 25.0h， 以88%的产率得到4-amino-5,6-dimethyl-2-(trifluoromethyl)pyridine
  参考文献：
  名称：

  Synthesis of 5-alkyl-4-amino-2-(trifluoromethyl)pyridines and their transformation into trifluoromethylated 1 H -pyrazolo[4,3- c ]pyridines

  摘要：

  5-Alkyl-4-amino-2-(trifluoromethyl)pyridines were prepared in good yields starting from the corresponding pyridinols either using condensation with tosyl isocyanate or by alkylation with 2-chloroacetamide and subsequent Smiles type rearrangement. The cyclisation of diazonium salts, generated from 5-alkyl-4-amino-2-(trifluoromethyl)pyridines afforded trifluoromethylated 1H-pyrazolo[4,3-c] pyri dines. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00024-2

文献信息

• NUCLEAR RECEPTOR MODULATORS (ROR) FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES
  申请人：AbbVie Inc.

  公开号：EP3636643A1

  公开（公告）日：2020-04-15

  The invention provides compounds of the following formula, pharmaceutically acceptable salts thereof wherein the variable are defined herein. The compounds of the invention are useful for treating immunological conditions.

  本发明提供了下式化合物及其药学上可接受的盐类，其中变量在此定义。本发明的化合物可用于治疗免疫学疾病。
• Synthesis of 5-alkyl-4-amino-2-(trifluoromethyl)pyridines and their transformation into trifluoromethylated 1 H -pyrazolo[4,3- c ]pyridines
  作者：Vladimir I Tyvorskii、Denis N Bobrov、Oleg G Kulinkovich、Kourosch Abbaspour Tehrani、Norbert De Kimpe

  DOI：10.1016/s0040-4020(01)00024-2

  日期：2001.3

  5-Alkyl-4-amino-2-(trifluoromethyl)pyridines were prepared in good yields starting from the corresponding pyridinols either using condensation with tosyl isocyanate or by alkylation with 2-chloroacetamide and subsequent Smiles type rearrangement. The cyclisation of diazonium salts, generated from 5-alkyl-4-amino-2-(trifluoromethyl)pyridines afforded trifluoromethylated 1H-pyrazolo[4,3-c] pyri dines. (C) 2001 Elsevier Science Ltd. All rights reserved.