5-(2-methoxy-phenyl)-3-oxo-valeric acid ethyl ester | 199107-07-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-(2-methoxy-phenyl)-3-oxo-valeric acid ethyl ester
• 英文别名: 5-(2-Methoxy-phenyl)-3-oxo-valeriansaeure-aethylester；Ethyl 5-(2-methoxyphenyl)-3-oxopentanoate；ethyl 5-(2-methoxyphenyl)-3-oxopentanoate
• CAS: 199107-07-8
• 化学式: C₁₄H₁₈O₄
• 分子量: 250.295
• InChiKey: PKXVHAQFADMFNQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,6-dichlorobenzohydroximoyl chloride 、 5-(2-methoxy-phenyl)-3-oxo-valeric acid ethyl ester 在 sodium methylate 作用下， 以 甲醇 为溶剂， 生成 3-(2,6-Dichloro-phenyl)-5-[2-(2-methoxy-phenyl)-ethyl]-isoxazole-4-carboxylic acid ethyl ester
  参考文献：
  名称：

  Novel isoxazole carboxamides as growth hormone secretagogue receptor (GHS-R) antagonists

  摘要：

  Novel isoxazole carboxamides have been identified as growth hormone secretagogue receptor (GHS-R) antagonists. Substituent modification off the 5-position of the isoxazole ring led to analogues with potent binding affinity and functional antagonism of GHS-R. A potent analogue (32) with high aqueous solubility and good GPCR selectivity was also identified as a potential pharmacological tool for in vivo studies. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.06.060
• 作为产物：
  描述：

  (3E)-4-(2-甲氧基苯基)-3-丁烯-2-酮 在 kieselguhr 、 乙醇 、 镍 、 sodium hydride 作用下， 70.0~80.0 ℃ 、13.73 MPa 条件下， 生成 5-(2-methoxy-phenyl)-3-oxo-valeric acid ethyl ester
  参考文献：
  名称：

  Some New Pyrethrin-type Esters^1,2

  摘要：

  DOI：

  10.1021/ja01113a041

文献信息

• Novel isoxazole carboxamides as growth hormone secretagogue receptor (GHS-R) antagonists
  作者：Bo Liu、Gang Liu、Zhili Xin、Micheal D. Serby、Hongyu Zhao、Verlyn G. Schaefer、H. Douglas Falls、Wiweka Kaszubska、Christine A. Collins、Hing L. Sham

  DOI：10.1016/j.bmcl.2004.06.060

  日期：2004.10

  Novel isoxazole carboxamides have been identified as growth hormone secretagogue receptor (GHS-R) antagonists. Substituent modification off the 5-position of the isoxazole ring led to analogues with potent binding affinity and functional antagonism of GHS-R. A potent analogue (32) with high aqueous solubility and good GPCR selectivity was also identified as a potential pharmacological tool for in vivo studies. (C) 2004 Elsevier Ltd. All rights reserved.
• Some New Pyrethrin-type Esters^1,2
  作者：Yuh-Lin Chen、W. F. Barthel

  DOI：10.1021/ja01113a041

  日期：1953.9