tert-Butyl 2-(4-{[(furan-2-ylmethyl)amino]methyl}phenoxy)-2-methylpropanoate | 409097-50-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: tert-Butyl 2-(4-{[(furan-2-ylmethyl)amino]methyl}phenoxy)-2-methylpropanoate
• 英文别名: tert-Butyl 2-(4-{[(2-furylmethyl)amino]methyl}phenoxy)-2-methylpropanoate；Tert-butyl 2-[4-[(furan-2-ylmethylamino)methyl]phenoxy]-2-methylpropanoate
• CAS: 409097-50-3
• 化学式: C₂₀H₂₇NO₄
• 分子量: 345.439
• InChiKey: IJKNBZZGHWILJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  25
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  60.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  tert-Butyl 2-(4-{[(furan-2-ylmethyl)amino]methyl}phenoxy)-2-methylpropanoate 、 溴乙酸乙酯 在 tetra(tert-butyl)ammonium iodide 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以100%的产率得到tert-Butyl 2-[4-[[(2-ethoxy-2-oxoethyl)(2-furanylmethyl)amino]methyl]phenoxy]-2-methyl-propanoate
  参考文献：
  名称：

  Glycine amides as PPARα agonists

  摘要：

  The design, synthesis and pharmacological properties of a novel class of PPAR alpha agonists is described. Compound 2 is a novel, potent and specific glycine amide with oral bioavailability in rodents. The compound is active in vivo and alters plasma lipids in hAPO-A1 transgenic mice after oral administration. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.019
• 作为产物：
  描述：

  tert-butyl 2-(4-formylphenoxy)-2-methylpropanoate 、 2-呋喃甲胺 在 三乙酰氧基硼氢化钠 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 5.0h， 以72%的产率得到tert-Butyl 2-(4-{[(furan-2-ylmethyl)amino]methyl}phenoxy)-2-methylpropanoate
  参考文献：
  名称：

  Glycine amides as PPARα agonists

  摘要：

  The design, synthesis and pharmacological properties of a novel class of PPAR alpha agonists is described. Compound 2 is a novel, potent and specific glycine amide with oral bioavailability in rodents. The compound is active in vivo and alters plasma lipids in hAPO-A1 transgenic mice after oral administration. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.019

文献信息

• Glycine amides as PPARα agonists
  作者：Klaus Urbahns、Michael Woltering、Susanne Nikolic、Josef Pernerstorfer、Hilmar Bischoff、Elke Dittrich-Wengenroth、Klemens Lustig

  DOI：10.1016/j.bmcl.2010.04.019

  日期：2010.6

  The design, synthesis and pharmacological properties of a novel class of PPAR alpha agonists is described. Compound 2 is a novel, potent and specific glycine amide with oral bioavailability in rodents. The compound is active in vivo and alters plasma lipids in hAPO-A1 transgenic mice after oral administration. (C) 2010 Elsevier Ltd. All rights reserved.