氟尼辛杂质D(EP) | 54396-42-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 氟尼辛杂质D(EP)
• 英文名称: ethyl 2-(2-methyl-3-trifluoromethylanilino)nicotinate
• 英文别名: 2-(2'-Methyl-3'-trifluoromethylanilino)nicotinsaeure-ethylester；2-(2-methyl-3-trifluoromethyl-anilino)-nicotinic acid ethyl ester；Ethyl 2-((2-methyl-3-(trifluoromethyl)phenyl)amino)nicotinate；ethyl 2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylate
• CAS: 54396-42-8
• 化学式: C₁₆H₁₅F₃N₂O₂
• 分子量: 324.303
• InChiKey: WICOBQMQNHKGTO-UHFFFAOYSA-N

物化性质

• 沸点：
  362.9±42.0 °C(Predicted)
• 密度：
  1.282±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  51.2
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  氟尼辛杂质D(EP) 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以90%的产率得到氟尼克辛
  参考文献：
  名称：

  Improved Process for the Preparation of 2-Methyl-3-trifluoromethylaniline: A Versatile Intermediate for Flunixin Synthesis

  摘要：

  A detailed new experimental investigation into the synthesis of Flunixin via 2-methyl-3-trifluoromethylaniline is described. The coupling process between 2-methyl-3-trifluoromethylaniline and 2-chloronicotinate was achieved stoichiometrically and in high yield, when ethylene glycol was used as reaction solvent at 160-degrees-C.

  DOI：

  10.3987/com-94-6822
• 作为产物：
  描述：

  N-(2,2-二甲基丙酰基)-3-(三氟甲基)苯胺 在 氢氧化钾 、 正丁基锂 作用下， 以 乙二醇 为溶剂， 反应 18.0h， 生成 氟尼辛杂质D(EP)
  参考文献：
  名称：

  Improved Process for the Preparation of 2-Methyl-3-trifluoromethylaniline: A Versatile Intermediate for Flunixin Synthesis

  摘要：

  A detailed new experimental investigation into the synthesis of Flunixin via 2-methyl-3-trifluoromethylaniline is described. The coupling process between 2-methyl-3-trifluoromethylaniline and 2-chloronicotinate was achieved stoichiometrically and in high yield, when ethylene glycol was used as reaction solvent at 160-degrees-C.

  DOI：

  10.3987/com-94-6822

文献信息

• Anti-diarrheal anilino nicotinic acids and method of using same
  申请人：Schering Corporation

  公开号：US04205073A1

  公开（公告）日：1980-05-27

  This invention relates to compositions of matter useful as anti-diarrheal agents and to the method of controlling and treating diarrhea in warm blooded animals. The active anti-diarrheal agents are substituted anilino nicotinic acids, and salts thereof and ester and hydrazine derivatives of said acids.

  这项发明涉及作为抗腹泻剂有用的物质组合，以及控制和治疗温血动物腹泻的方法。活性抗腹泻剂是取代苯胺基烟酸、其盐以及该酸的酯和肼衍生物。
• Jaouhari Rabih, Quinn Philip, Heterocycles, 38 (1994) N 10, S 2243-2246
  作者：Jaouhari Rabih, Quinn Philip

  DOI：——

  日期：——
• US4205073A
  申请人：——

  公开号：US4205073A

  公开（公告）日：1980-05-27
• US5248781A
  申请人：——

  公开号：US5248781A

  公开（公告）日：1993-09-28
• Improved Process for the Preparation of 2-Methyl-3-trifluoromethylaniline: A Versatile Intermediate for Flunixin Synthesis
  作者：Rabih Jaouhari、Philip Quinn

  DOI：10.3987/com-94-6822

  日期：——

  A detailed new experimental investigation into the synthesis of Flunixin via 2-methyl-3-trifluoromethylaniline is described. The coupling process between 2-methyl-3-trifluoromethylaniline and 2-chloronicotinate was achieved stoichiometrically and in high yield, when ethylene glycol was used as reaction solvent at 160-degrees-C.