tert-butyl 6-(3-acetyl-5-(trifluoromethyl)phenyl)hex-5-ynoate | 1560549-82-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: tert-butyl 6-(3-acetyl-5-(trifluoromethyl)phenyl)hex-5-ynoate
• CAS: 1560549-82-7
• 化学式: C₁₉H₂₁F₃O₃
• 分子量: 354.369
• InChiKey: ZKLSISMEYLQCLC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.77
• 重原子数：
  25.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  1-[3-溴-5-(三氟甲基)苯基]乙酮 、 tert-butyl hex-5-ynoate 生成 tert-butyl 6-(3-acetyl-5-(trifluoromethyl)phenyl)hex-5-ynoate
  参考文献：
  名称：

  Immunoassays for trifloxystrobin analysis. Part I. Rational design of regioisomeric haptens and production of monoclonal antibodies

  摘要：

  Trifloxystrobin is one of the main active principles belonging to the strobilurin family of crop protection compounds. In this article, the synthesis of a battery of regioisomeric functionalized derivatives of trifloxystrobin is described. The same aliphatic linear carboxylated chain was introduced as spacer arm in all of the synthesized haptens, but it was located at different positions of the parent molecule. N,N'-Disuccinimidyl carbonate was employed for hapten activation, so the resulting N-hydroxysuccinimyl ester could be readily purified and efficiently coupled to proteins. After immunization and hybridoma generation, a collection of 20 mouse monoclonal antibodies from different immunizing haptens was obtained. The analytical performance of these immunoreagents was evaluated in terms of affinity and selectivity with the aim to develop rapid and practical immunochemical procedures for trifloxystrobin determination. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.foodchem.2013.11.150