5-(2,5-Dimethyl-phenoxy)-2-ethyl-pentanoic acid ethyl ester | 443924-72-9

• 英文名称: 5-(2,5-Dimethyl-phenoxy)-2-ethyl-pentanoic acid ethyl ester
• CAS: 443924-72-9
• 化学式: C₁₇H₂₆O₃
• 分子量: 278.392
• InChiKey: HKNMFFPQCNTGSN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.05
• 重原子数：
  20.0
• 可旋转键数：
  8.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  35.53
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  5-(2,5-Dimethyl-phenoxy)-2-ethyl-pentanoic acid ethyl ester 在 氢氧化钾 、 正丁基锂 、 氯化亚砜 、 过氧化氢,锂盐(1:1) 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 反应 1.25h， 生成 2-ethyl-4-(2,5-dimethylphenoxy)butyric acid
  参考文献：
  名称：

  Synthesis and antiplatelet activity of gemfibrozil chiral analogues

  摘要：

  The chiral analogues of gemfibrozil 5-(2.5-dimethylphenoxy)-2-methylpentanoic acid and 5-(2,5-dimethylphenoxy)-2-ethylpentanoic acid were synthesized in optically active form using (S)-4-(1-methylethyl)-2-oxazolidinone as chiral auxiliary. All compounds inhibit human platelet aggregation. from these data. one can surmise that all tested compounds and gemfibrozil act at the platelet level with different mechanism than that of ASA, even if with a different potency. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00021-5
• 作为产物：
  描述：

  sodium 2,5-dimethylphenolate 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 六甲基磷酰三胺 、 乙醇 为溶剂， 生成 5-(2,5-Dimethyl-phenoxy)-2-ethyl-pentanoic acid ethyl ester
  参考文献：
  名称：

  Synthesis and antiplatelet activity of gemfibrozil chiral analogues

  摘要：

  The chiral analogues of gemfibrozil 5-(2.5-dimethylphenoxy)-2-methylpentanoic acid and 5-(2,5-dimethylphenoxy)-2-ethylpentanoic acid were synthesized in optically active form using (S)-4-(1-methylethyl)-2-oxazolidinone as chiral auxiliary. All compounds inhibit human platelet aggregation. from these data. one can surmise that all tested compounds and gemfibrozil act at the platelet level with different mechanism than that of ASA, even if with a different potency. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00021-5