1-(3-Fluoro-phenyl)-but-3-en-2-one | 889955-73-1

• 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: 1-(3-Fluoro-phenyl)-but-3-en-2-one
• 英文别名: 1-(3-fluorophenyl)but-3-en-2-one
• CAS: 889955-73-1
• 化学式: C₁₀H₉FO
• 分子量: 164.179
• InChiKey: HFPLWPVNLPWITP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(3-Fluoro-phenyl)-but-3-en-2-one 、 methyl 4-(2-(5-oxopyrazolidin-1-yl)ethyl)benzoate 以 乙醇 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Synthesis and evaluation of novel pyrazolidinone analogs of PGE2 as EP2 and EP4 receptors agonists

  摘要：

  Replacement of the hydroxy cyclopentanone ring in PGE(2) with chemically more stable heterocyclic rings and substitution of the unsaturated alpha-alkenyl chain with a metabolically more stable phenethyl chain led to the development of potent and selective analogs of PGE(2). Compound 10f showed the highest potency and selectivity for EP4 the receptor. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.074
• 作为产物：
  描述：

  2-(3-fluorophenyl)-N-methoxy-N-methylacetamide 、 乙烯基溴化镁 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 1-(3-Fluoro-phenyl)-but-3-en-2-one
  参考文献：
  名称：

  Synthesis and evaluation of novel pyrazolidinone analogs of PGE2 as EP2 and EP4 receptors agonists

  摘要：

  Replacement of the hydroxy cyclopentanone ring in PGE(2) with chemically more stable heterocyclic rings and substitution of the unsaturated alpha-alkenyl chain with a metabolically more stable phenethyl chain led to the development of potent and selective analogs of PGE(2). Compound 10f showed the highest potency and selectivity for EP4 the receptor. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.074

文献信息

• Synthesis and evaluation of novel pyrazolidinone analogs of PGE2 as EP2 and EP4 receptors agonists
  作者：Zhong Zhao、Gian Luca Araldi、Yufang Xiao、Adulla P. Reddy、Yihua Liao、Srinivasa Karra、Nadia Brugger、David Fischer、Elizabeth Palmer

  DOI：10.1016/j.bmcl.2007.09.074

  日期：2007.12

  Replacement of the hydroxy cyclopentanone ring in PGE(2) with chemically more stable heterocyclic rings and substitution of the unsaturated alpha-alkenyl chain with a metabolically more stable phenethyl chain led to the development of potent and selective analogs of PGE(2). Compound 10f showed the highest potency and selectivity for EP4 the receptor. (c) 2007 Elsevier Ltd. All rights reserved.