Methyl 3-[4-(cyanomethoxy)phenyl]-2-propan-2-yloxypropanoate | 380908-92-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: Methyl 3-[4-(cyanomethoxy)phenyl]-2-propan-2-yloxypropanoate
• 英文别名: methyl 3-[4-(cyanomethoxy)phenyl]-2-propan-2-yloxypropanoate
• CAS: 380908-92-9
• 化学式: C₁₅H₁₉NO₄
• 分子量: 277.32
• InChiKey: LJSUYYBXMJWXAQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  68.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Methyl 3-[4-(cyanomethoxy)phenyl]-2-propan-2-yloxypropanoate 在 羟胺 作用下， 以 甲醇 、 水 为溶剂， 反应 4.0h， 以71%的产率得到Methyl 3-[4-(2-amino-2-hydroxyiminoethoxy)phenyl]-2-propan-2-yloxypropanoate
  参考文献：
  名称：

  Identification of a series of oxadiazole-substituted α-isopropoxy phenylpropanoic acids with activity on PPARα, PPARγ, and PPARδ

  摘要：

  A series of oxadiazole-substituted alpha -isopropoxy phenylpropanoic acids with dual agonist activity on PPAR alpha and PPAR gamma is described. Several of these compounds also showed partial agonist activity on PPAR delta. Resolution of one analogue showed that PPAR alpha and PPAR gamma activity resided in mainly one enantiomer, whereas PPAR delta activity was retained in both enantiomers. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00458-9
• 作为产物：
  描述：

  2-氨基-3-(4-苯基甲氧基苯基)丙酸甲酯 在 palladium on activated charcoal dirhodium tetraacetate 、 氢气 、 溶剂黄146 、 亚硝酸异戊酯 作用下， 以 乙醇 、 氯仿 、 乙腈 为溶剂， 反应 0.5h， 生成 Methyl 3-[4-(cyanomethoxy)phenyl]-2-propan-2-yloxypropanoate
  参考文献：
  名称：

  Identification of a series of oxadiazole-substituted α-isopropoxy phenylpropanoic acids with activity on PPARα, PPARγ, and PPARδ

  摘要：

  A series of oxadiazole-substituted alpha -isopropoxy phenylpropanoic acids with dual agonist activity on PPAR alpha and PPAR gamma is described. Several of these compounds also showed partial agonist activity on PPAR delta. Resolution of one analogue showed that PPAR alpha and PPAR gamma activity resided in mainly one enantiomer, whereas PPAR delta activity was retained in both enantiomers. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00458-9

文献信息

• Identification of a series of oxadiazole-substituted α-isopropoxy phenylpropanoic acids with activity on PPARα, PPARγ, and PPARδ
  作者：Kevin G Liu、Jennifer S Smith、Andrea H Ayscue、Brad R Henke、Millard H Lambert、Lisa M Leesnitzer、Kelli D Plunket、Timothy M Willson、Daniel D Sternbach

  DOI：10.1016/s0960-894x(01)00458-9

  日期：2001.9

  A series of oxadiazole-substituted alpha -isopropoxy phenylpropanoic acids with dual agonist activity on PPAR alpha and PPAR gamma is described. Several of these compounds also showed partial agonist activity on PPAR delta. Resolution of one analogue showed that PPAR alpha and PPAR gamma activity resided in mainly one enantiomer, whereas PPAR delta activity was retained in both enantiomers. (C) 2001 Elsevier Science Ltd. All rights reserved.