5-methyl-2-(trifluoromethyl)-4-pyridinol | 220870-77-9

• 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: 5-methyl-2-(trifluoromethyl)-4-pyridinol
• 英文别名: 4-hydroxy-5-methyl-2-trifluoromethylpyridine；4-Pyridinol, 5-methyl-2-(trifluoromethyl)-；5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one
• CAS: 220870-77-9
• 化学式: C₇H₆F₃NO
• 分子量: 177.126
• InChiKey: BSXWJVQXEKLJRP-UHFFFAOYSA-N

物化性质

• 沸点：
  326.4±37.0 °C(Predicted)
• 密度：
  1.353±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-methyl-2-(trifluoromethyl)-4-pyridinol 在 五氯化磷 作用下， 以 三氯氧磷 为溶剂， 反应 16.0h， 以80%的产率得到5-methyl-2-trifluoromethyl-4-chloropyridine
  参考文献：
  名称：

  Synthesis and transformations of 4-hydroxy-5-methyl-2-trifluoromethylpyridine

  摘要：

  DOI：

  10.1007/bf02252275
• 作为产物：
  描述：

  5-methyl-2-trifluoromethyl-4H-pyran-4-one 在 ammonium hydroxide 作用下， 以 甲醇 为溶剂， 以94%的产率得到5-methyl-2-(trifluoromethyl)-4-pyridinol
  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

• N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS
  申请人：Active Biotech AB

  公开号：US20160115158A1

  公开（公告）日：2016-04-28

  A compound of formula (I), or a pharmaceutically acceptable salt thereof and a pharmaceutical composition comprising the compound. The compound is an inhibitor of interactions between S100A9 and interaction partners such as RAGE, TLR4 and EMMPRIN and as such is useful in the treatment of disorders such as cancer, autoimmune disorders, inflammatory disorders and neurodegenerative disorders.

  化合物(I)的配方，或其药学上可接受的盐和包含该化合物的药物组合物。该化合物是S100A9与相互作用伙伴如RAGE、TLR4和EMMPRIN之间相互作用的抑制剂，因此在治疗癌症、自身免疫性疾病、炎症性疾病和神经退行性疾病等疾病中有用。
• Synthesis and transformations of 4-hydroxy-5-methyl-2-trifluoromethylpyridine
  作者：V. I. Tyvorskii、D. N. Bobrov

  DOI：10.1007/bf02252275

  日期：1998.6
• 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.