tert-butyl 3-(2,3,5-trimethylphenoxy)propanoate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: tert-butyl 3-(2,3,5-trimethylphenoxy)propanoate
• 英文别名: Tert-butyl 3-(2,3,5-trimethylphenoxy)propanoate
• 化学式: C₁₆H₂₄O₃
• mdl: MFCD27848464
• 分子量: 264.365
• InChiKey: GWDPQEXOEQCQIZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.562
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl 3-(2,3,5-trimethylphenoxy)propanoate 在 polyphosphoric acid 作用下， 反应 4.0h， 以63%的产率得到2,3-dihydro-5,7,8-trimethyl-4H-1-benzopyran-4-one
  参考文献：
  名称：

  Discovery of Benzofuran Derivatives that Collaborate with Insulin-Like Growth Factor 1 (IGF-1) to Promote Neuroprotection

  摘要：

  A series of benzofuran derivatives with neuroprotective activity in collaboration with IGF-1 was discovered using a newly developed cell-based assay involving primary neural cells prepared from rat hippocampal and cerebral cortical tissues. A structure activity relationship study identified compound 8 as exhibiting potent activity and brain penetrability. An in vitro pharmacological study demonstrated that although IGF-1 and 8 individually exhibited the neuroprotective effect, the latter acted in collaboration with IGF-1 to enhance neuroprotective activity.

  DOI：

  10.1021/acs.jmedchem.6b00191
• 作为产物：
  描述：

  丙烯酸叔丁酯 、 2,3,5-三甲基苯酚 在 potassium tert-butylate 作用下， 反应 4.0h， 以69%的产率得到tert-butyl 3-(2,3,5-trimethylphenoxy)propanoate
  参考文献：
  名称：

  Discovery of Benzofuran Derivatives that Collaborate with Insulin-Like Growth Factor 1 (IGF-1) to Promote Neuroprotection

  摘要：

  A series of benzofuran derivatives with neuroprotective activity in collaboration with IGF-1 was discovered using a newly developed cell-based assay involving primary neural cells prepared from rat hippocampal and cerebral cortical tissues. A structure activity relationship study identified compound 8 as exhibiting potent activity and brain penetrability. An in vitro pharmacological study demonstrated that although IGF-1 and 8 individually exhibited the neuroprotective effect, the latter acted in collaboration with IGF-1 to enhance neuroprotective activity.

  DOI：

  10.1021/acs.jmedchem.6b00191