4-乙基-2-三氟甲基嘧啶-5-羧酸 | 915376-41-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 4-乙基-2-三氟甲基嘧啶-5-羧酸
• 英文名称: 4-Ethyl-2-trifluoromethyl-pyrimidine-5-carboxylic acid
• 英文别名: 4-Ethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
• CAS: 915376-41-9
• 化学式: C₈H₇F₃N₂O₂
• 分子量: 220.151
• InChiKey: TXIUAZYUIYAINL-UHFFFAOYSA-N

物化性质

• 沸点：
  241.2±40.0 °C(Predicted)
• 密度：
  1.422±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  63.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-乙基-2-三氟甲基嘧啶-5-羧酸 在 草酰氯 、 N,N-二异丙基乙胺 、 N,N-二甲基甲酰胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 4-ethyl-N-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
  参考文献：
  名称：

  Insecticidal anthranilic diamides: A new class of potent ryanodine receptor activators

  摘要：

  A novel class of anthranilic diamides has been discovered with exceptional insecticidal activity on a range of Lepidoptera. These compounds have been found to exhibit their action by release of intracellular Ca2+ stores mediated by the ryanodine receptor. The discovery, synthesis, structure-activity, and biological results are presented. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.034
• 作为产物：
  描述：

  4-Ethyl-2-trifluoromethyl-pyrimidine-5-carboxylic acid methyl ester 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 4-乙基-2-三氟甲基嘧啶-5-羧酸
  参考文献：
  名称：

  Insecticidal anthranilic diamides: A new class of potent ryanodine receptor activators

  摘要：

  A novel class of anthranilic diamides has been discovered with exceptional insecticidal activity on a range of Lepidoptera. These compounds have been found to exhibit their action by release of intracellular Ca2+ stores mediated by the ryanodine receptor. The discovery, synthesis, structure-activity, and biological results are presented. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.034

文献信息

• [EN] TRICYCLIC COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS<br/>[FR] COMPOSÉS TRICYCLIQUES UTILES COMME INHIBITEURS DE PROTÉINE KINASE
  申请人：ABBVIE INC

  公开号：WO2013043826A1

  公开（公告）日：2013-03-28

  The invention provides compounds of Formula (I), pharmaceutically acceptable salts, pro-drugs, biologically active metabolites, stereoisomers and isomers thereof wherein the variable are defined herein. The compounds of the invention are useful for treating immunological and oncological conditions.