diisopropyl (2-((4-hydroxyphenethyl)amino)-2-oxoethyl)phosphonate | 1426294-42-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: diisopropyl (2-((4-hydroxyphenethyl)amino)-2-oxoethyl)phosphonate
• CAS: 1426294-42-9
• 化学式: C₁₆H₂₆NO₅P
• 分子量: 343.36
• InChiKey: SBFLLOWHDBVOMI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.09
• 重原子数：
  23.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  84.86
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  对羟基苯乙胺 、 2,5-dioxopyrrolidin-1-yl 2-(diisopropoxyphosphoryl)acetate 、 吉拉尔特试剂 T 以 二氯甲烷 、 甲醇 为溶剂， 反应 4.0h， 以89%的产率得到diisopropyl (2-((4-hydroxyphenethyl)amino)-2-oxoethyl)phosphonate
  参考文献：
  名称：

  Column Chromatography-Free Solution-Phase Synthesis of a Natural Piper-Amide-like Compound Library

  摘要：

  We have achieved an efficient solution-phase parallel synthesis of a library of natural piper-amide-like compounds from the bifunctional beta-phosphono-N-hydroxy-succinimidyl ester intermediate. The primary important feature in our study is the construction of natural-product-like molecules through the adaptation of sophisticated organic reactions that create water-soluble byproducts for a chromatography-free purification. This simple and efficient method rapidly provides a combinatorial library of high yield and purity. The library was evaluated against GPCR targets to demonstrate its potential use as a tool for drug discovery and in chemical biology.

  DOI：

  10.1021/co400003d