1-oxyl-2,2,6,6-tetramethylpiperidin-4-yl butyrate | 21270-96-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 1-oxyl-2,2,6,6-tetramethylpiperidin-4-yl butyrate
• CAS: 21270-96-2
• 化学式: C₁₃H₂₄NO₃
• 分子量: 242.338
• InChiKey: ITRGHQBQSMGPGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  30.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  丁酰氯 、 阻聚剂701 在 吡啶 作用下， 以 乙醚 为溶剂， 反应 3.08h， 以71%的产率得到1-oxyl-2,2,6,6-tetramethylpiperidin-4-yl butyrate
  参考文献：
  名称：

  Location of TEMPO derivatives in micelles: subtle effect of the probe orientation

  摘要：

  Partition coefficients for six 4-substituted derivatives of the 2,2,6,6-tetramethylpiperidine-N-oxyl (TEMPO) derivatives in aqueous solutions of reduced Triton X-100 (RTX-100) were determined by measurements of the probe EPR g-factor and of the fluorescence quenching of pyrene by the radical in the micelle. The partition constant attained a maximum value and then decreased with increasing probe hydrophobicity. Simulation of the probes inside the micelle showed that this trend could be rationalized by a change in the orientation of the 4-substituted TEMPO derivatives with the increasing substituent. chain-length. The use of the EPR g-factor for the determination of partition constants of radicals in micellar systems was thus validated as a reliable and sensitive method, capable of describing the probe orientation in its microenvironment. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.foodchem.2015.07.036