Ethyl 3-oxo-5-phenoxypentanoate | 627896-07-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: Ethyl 3-oxo-5-phenoxypentanoate
• CAS: 627896-07-5
• 化学式: C₁₃H₁₆O₄
• 分子量: 236.268
• InChiKey: ZCDBHFVAHUHRED-UHFFFAOYSA-N

物化性质

• 沸点：
  347.4±22.0 °C(Predicted)
• 密度：
  1.108±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 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：

  Ethyl 3-oxo-5-phenoxypentanoate 在 对甲苯磺酰叠氮 、 三乙胺 作用下， 以 乙腈 为溶剂， 反应 2.0h， 以84%的产率得到ethyl 2-diazo-3-oxo-5-phenoxypentanoate
  参考文献：
  名称：

  Rh催化的α-重氮β-酮酸酯的分子内芳族CH插入：4-羰基苯并二氢吡喃衍生物的合成

  摘要：

  开发了Rh催化的α-重氮β-酮酸酯的分子内芳族C–H插入。该方案为高产率合成4-羰基苯并二氢吡喃衍生物提供了实用的策略，并且与多种取代基兼容。还证明了4-羰基苯并二氢吡喃的合成应用。

  DOI：

  10.1016/j.tet.2014.03.093

文献信息

• Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes
  申请人：Ammenn Jochen

  公开号：US20050272718A1

  公开（公告）日：2005-12-08

  The present invention relates to a melanin concentrating hormone antagonist compound of formula I: (I); or a pharmaceutically acceptable salt, solvate, enantiomer or prodrug thereof useful in the treatment, prevention or amelioration of symptoms associated with obesity and related diseases.

  本发明涉及一种式 I 的黑色素浓缩激素拮抗剂化合物：(I)；或其药学上可接受的盐、溶液剂、对映体或原药，可用于治疗、预防或改善与肥胖及相关疾病有关的症状。
• Structure-guided design, synthesis and biological evaluation of novel DNA ligase inhibitors with in vitro and in vivo anti-staphylococcal activity
  作者：Jean-Philippe Surivet、Roland Lange、Christian Hubschwerlen、Wolfgang Keck、Jean-Luc Specklin、Daniel Ritz、Daniel Bur、Hans Locher、Peter Seiler、Daniel Stefan Strasser、Lars Prade、Christopher Kohl、Christine Schmitt、Gaëlle Chapoux、Eser Ilhan、Nadia Ekambaram、Alcibiade Athanasiou、Andreja Knezevic、Daniela Sabato、Alain Chambovey、Mika Gaertner、Michel Enderlin、Maria Boehme、Virginie Sippel、Pierre Wyss

  DOI：10.1016/j.bmcl.2012.08.094

  日期：2012.11

  A series of 2-amino-[1,8]-naphthyridine-3-carboxamides (ANCs) with potent inhibition of bacterial NAD+-dependent DNA ligases (LigAs) evolved from a 2,4-diaminopteridine derivative discovered by HTS. The design was guided by several highly resolved X-ray structures of our inhibitors in complex with either Streptococcus pneumoniae or Escherichia coli LigA. The structure-activity-relationship based on the ANC scaffold is discussed. The in-depth characterization of 2-amino-6-bromo-7-(trifluoromethyl)-[1,8]-naphthyridine-3-carboxamide, which displayed promising in vitro (MIC Staphylococcus aureus 1 mg/L) and in vivo anti-staphylococcal activity, is presented. (C) 2012 Elsevier Ltd. All rights reserved.
• MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES
  申请人：ELI LILLY AND COMPANY

  公开号：EP1505968A1

  公开（公告）日：2005-02-16
• US7229987B2
  申请人：——

  公开号：US7229987B2

  公开（公告）日：2007-06-12
• [EN] MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES<br/>[FR] COMPOSES MULTICYCLIQUES QUE L'ON UTILISE COMME ANTAGONISTES DE L'HORMONE DE CONCENTRATION DE MELANINE DANS LE TRAITEMENT DE L'OBESITE ET DU DIABETE
  申请人：LILLY CO ELI

  公开号：WO2003097047A1

  公开（公告）日：2003-11-27

  The present invention relates to a melanin concentrating hormone antagonist compound of formula I: (I);or a pharmaceutically acceptable salt, solvate, enantiomer or prodrug thereof useful in the treatment, prevention or amelioration of symptoms associated with obesity and related diseases.