1-Phenyl-pyrazolon-(5)-propionsaeure-(3)-methylester | 24246-08-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 1-Phenyl-pyrazolon-(5)-propionsaeure-(3)-methylester
• 英文别名: 3-(5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)-propionic acid methyl ester；methyl 3-(5-oxo-1-phenyl-4H-pyrazol-3-yl)propanoate
• CAS: 24246-08-0
• 化学式: C₁₃H₁₄N₂O₃
• 分子量: 246.266
• InChiKey: OBFYGLNRJJZFRO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  59
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  丁二酸单甲酯酰氯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 生成 1-Phenyl-pyrazolon-(5)-propionsaeure-(3)-methylester
  参考文献：
  名称：

  SOLID-PHASE SYNTHESIS OF POLYMER-BOUND β-KETOESTERS AND THEIR APPLICATION IN THE SYNTHESIS OF STRUCTURALLY DIVERSE PYRAZOLONES

  摘要：

  An efficient solid-phase synthesis of different polymer-bound beta-ketoesters 7 is described using readily available acid chlorides I and haloalkanes 6 as building blocks. The corresponding pyrazolones 9 and 10 were obtained by mild acid catalyzed reaction with phenylhydrazine or by treatment with hydrazine under cyclisation and cleavage from the resin in high purity and good yield. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00209-6

文献信息

• SOLID-PHASE SYNTHESIS OF POLYMER-BOUND β-KETOESTERS AND THEIR APPLICATION IN THE SYNTHESIS OF STRUCTURALLY DIVERSE PYRAZOLONES
  作者：Lutz F Tietze、Adrian Steinmetz、Friedhelm Balkenhohl

  DOI：10.1016/s0960-894x(97)00209-6

  日期：1997.5

  An efficient solid-phase synthesis of different polymer-bound beta-ketoesters 7 is described using readily available acid chlorides I and haloalkanes 6 as building blocks. The corresponding pyrazolones 9 and 10 were obtained by mild acid catalyzed reaction with phenylhydrazine or by treatment with hydrazine under cyclisation and cleavage from the resin in high purity and good yield. (C) 1997 Elsevier Science Ltd.
• Solid‐Phase Synthesis of Substituted Pyrazolones from Polymer‐Bound β‐Keto Esters
  作者：Lutz F. Tietze、Holger Evers、Thomas Hippe、Adrian Steinmetz、Enno Töpken

  DOI：10.1002/1099-0690(200105)2001:9<1631::aid-ejoc1631>3.0.co;2-#

  日期：2001.5