2-(2-fluoro-phenyl)-1-m-tolyl-ethanone | 958033-23-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 2-(2-fluoro-phenyl)-1-m-tolyl-ethanone
• 英文别名: 2-(2-Fluorophenyl)-1-(3-methylphenyl)ethanone
• CAS: 958033-23-3
• 化学式: C₁₅H₁₃FO
• mdl: MFCD12519518
• 分子量: 228.266
• InChiKey: VNCWTXWWGGVXTE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.133
• 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：

  2-(2-fluoro-phenyl)-1-m-tolyl-ethanone 、 4-氯苯甲酰甲酸乙酯 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以45%的产率得到
  参考文献：
  名称：

  A new Knoevenagel-type synthesis of fully substituted γ-hydroxybutenolides

  摘要：

  The synthesis of fully substituted gamma-hydroxybutenolides is possible by a Knoevenagel-type ring condensation of alpha-methyleneketones and alpha-ketoesters under basic conditions. This novel transformation allowed the preparation of di-aryl/heteroaryl substituted hydroxyfuranones, such as 20 and 27, which are important intermediates for pyridazine fungicides. As it turned out, a whole range of different substituents, such as alkyl, cycloalkyl, aryl, heteroaryl and ester groups could be linked to the butenolide scaffold, demonstrating the broad scope of the novel cyclization. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.05.125

文献信息

• THERAPEUTIC FLUOROETHYL UREAS
  申请人：Chow Ken

  公开号：US20070270498A1

  公开（公告）日：2007-11-22

  Compounds of the formula or a pharmaceutically acceptable salt thereof or a tautomer thereof, wherein A and B are as described herein, are useful for treating conditions afflicting mammals.

  该公式化合物或其药用盐或其互变异构体，其中A和B如本文所述，可用于治疗影响哺乳动物的疾病。
• US7709507B2
  申请人：——

  公开号：US7709507B2

  公开（公告）日：2010-05-04
• [EN] THERAPEUTIC FLUOROETHYL UREAS<br/>[FR] URÉES DE FLUOROÉTHYLE THÉRAPEUTIQUES
  申请人：ALLERGAN INC

  公开号：WO2007137029A1

  公开（公告）日：2007-11-29

  [EN] Compounds of the formula (I) or a pharmaceutically acceptable salt thereof or a tautomer thereof, wherein A and B are as described herein, are useful for treating conditions afflicting mammals.
  [FR] La présente invention concerne des composés de formule (I) ou un sel pharmaceutiquement acceptable ou un tautomère de celui-ci, dans laquelle A et B sont tels que décrits dans la description, utiles pour traiter des conditions pathologiques dont souffrent des mammifères.
• A new Knoevenagel-type synthesis of fully substituted γ-hydroxybutenolides
  作者：Clemens Lamberth、Edouard Godineau、Tomas Smejkal、Stephan Trah

  DOI：10.1016/j.tetlet.2012.05.125

  日期：2012.8

  The synthesis of fully substituted gamma-hydroxybutenolides is possible by a Knoevenagel-type ring condensation of alpha-methyleneketones and alpha-ketoesters under basic conditions. This novel transformation allowed the preparation of di-aryl/heteroaryl substituted hydroxyfuranones, such as 20 and 27, which are important intermediates for pyridazine fungicides. As it turned out, a whole range of different substituents, such as alkyl, cycloalkyl, aryl, heteroaryl and ester groups could be linked to the butenolide scaffold, demonstrating the broad scope of the novel cyclization. (C) 2012 Elsevier Ltd. All rights reserved.