2-Ethyl-6-trifluoromethyl-nicotinic acid | 280566-25-8

• 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-Ethyl-6-trifluoromethyl-nicotinic acid
• 英文别名: 2-Ethyl-6-trifluoromethylnicotinic acid；2-ethyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
• CAS: 280566-25-8
• 化学式: C₉H₈F₃NO₂
• 分子量: 219.163
• InChiKey: FBDXRMDWLSCTFB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-Ethyl-6-trifluoromethyl-nicotinic acid 在 氯化亚砜 作用下， 以 甲苯 为溶剂， 以100%的产率得到2-Ethyl-6-trifluoromethyl-nicotinoyl chloride
  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：

  methyl 2-ethyl-6-(trifluoromethyl)nicotinate 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 2-Ethyl-6-trifluoromethyl-nicotinic acid
  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

• Vanilloid receptor modulators
  申请人：Glaxo Group Limited

  公开号：US07538121B2

  公开（公告）日：2009-05-26

  Certain compounds of formula (I), or a pharmaceutically acceptable salt or solvate thereof, wherein R1, R2, R3, P, X, Y, q, r ans s are as defined in the specification, a process for preparing such compounds, a pharmaceutical composition comprising such compounds and the use of such compounds in medicine.

  某些化合物的公式（I），或其药学上可接受的盐或溶剂化物，其中R1、R2、R3、P、X、Y、q、r和s如说明书中所定义，制备这种化合物的过程，包含这种化合物的药物组合物以及这种化合物在医学上的使用。
• US7538121B2
  申请人：——

  公开号：US7538121B2

  公开（公告）日：2009-05-26