1-(2,3-二氯-4-甲氧基苯基)-1-戊酮 | 101375-31-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(2,3-二氯-4-甲氧基苯基)-1-戊酮
• 英文名称: 1-(2,3-dichloro-4-methoxyphenyl)-1-pentanone
• 英文别名: 1-(2,3-Dichloro-4-methoxyphenyl)pentan-1-one
• CAS: 101375-31-9
• 化学式: C₁₂H₁₄Cl₂O₂
• 分子量: 261.148
• InChiKey: UUNDSJFLYKHHQX-UHFFFAOYSA-N

物化性质

• 熔点：
  61-63 °C(Solv: ligroine (8032-32-4))
• 沸点：
  354.1±42.0 °C(Predicted)
• 密度：
  1.195±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(2,3-二氯-4-甲氧基苯基)-1-戊酮 在 硫酸 、 吡啶盐酸盐 、 乙酸酐 、 potassium carbonate 、 potassium hydroxide 、 sodium hydroxide 作用下， 以 甲醇 、 乙醇 、 水 、 乙腈 为溶剂， 反应 3.0h， 生成 DPOFA
  参考文献：
  名称：

  [EN] FLUORENONE COMPOUND FOR THE TREATMENT OF GOUT
  [FR] COMPOSÉ DE POUR LE TRAITEMENT DE LA GOUTTE

  摘要：

  本发明提供了一种治疗或预防痛风的方法，包括向患有痛风的受试者施用所述化合物或其酯或盐，从而治疗或预防该受试者的痛风。

  公开号：

  WO2017083652A1
• 作为产物：
  描述：

  2,3-二氯茴香醚 、 戊酰氯 在 aluminum (III) chloride 作用下， 以 二氯甲烷 为溶剂， 反应 15.5h， 以59%的产率得到1-(2,3-二氯-4-甲氧基苯基)-1-戊酮
  参考文献：
  名称：

  [EN] FLUORENONE COMPOUND FOR THE TREATMENT OF GOUT
  [FR] COMPOSÉ DE POUR LE TRAITEMENT DE LA GOUTTE

  摘要：

  本发明提供了一种治疗或预防痛风的方法，包括向患有痛风的受试者施用所述化合物或其酯或盐，从而治疗或预防该受试者的痛风。

  公开号：

  WO2017083652A1

文献信息

• Fluorenone compound for the treatment of gout
  申请人：Petrukhin Konstantin

  公开号：US11000492B2

  公开（公告）日：2021-05-11

  The present invention provides a method for treating or preventing gout in a subject afflicted therewith comprising administering a compound presented or an ester or salt thereof, so as to thereby treat or prevent the gout in the subject.

  本发明提供了一种治疗或预防患有痛风的受试者痛风的方法，包括施用所提出的化合物或其酯或盐，从而治疗或预防受试者的痛风。
• Agents for the treatment of brain edema. 2. [(2,3,9,9a-Tetrahydro-3-oxo-9a-substituted-1H-fluoren-7-yl)oxy]alkanoic acids and some of their analogs
  作者：E. J. Cragoe、O. W. Woltersdorf、N. P. Gould、A. M. Pietruszkiewicz、C. Ziegler、Y. Sakurai、G. E. Stokker、P. S. Anderson、R. S. Bourke

  DOI：10.1021/jm00155a038

  日期：1986.5

  Our initial paper discussed brain edema resulting from traumatic head injury and the need for specific and effective agents to treat the disorder and disclosed a novel approach for the discovery of a drug of this kind. The current study describes the synthesis of a series of [(2,3,9,9a-tetrahydro-3-oxo-9a-substituted-1H-fluoren-7-yl)oxy]alk anoic acids and their analogues. These compounds were evaluated in an in vitro cerebrocortical tissue slice assay for their relative potencies in inhibiting K+ + HCO3- induced swelling. Structural modification at a number of sites in the "lead" compound revealed that significant biological activity was inherent only within a very narrow range of structural types. The observation that nearly all the biological activity resided in one of the two enantiomers demonstrated the marked stereospecificity of the most active compounds. One of the most potent compounds, (R)-(+)-[(5,6-dichloro-2,3,9,9a-tetrahydro-3-oxo-9a-propyl-1H-fluoren -7-yl) oxy]acetic acid ((+)-5c), exhibited a dose-response relationship in the in vivo acceleration/deceleration brain edema assay, and the data from the two highest doses were statistically significant. Electron microscopic examination demonstrated that the perivascular astroglial swelling that arises from this procedure is abolished in the animals treated with (+)-5c. This compound is currently being evaluated for its clinical efficacy and safety in the treatment of traumatic head injury.
• Preparation of Acrylophenones and 2-Alkyl Indanones Utilizing Hexamethylenetetramine as an Inexpensive Mannich Reagent.
  作者：Apurba Bhattacharya、Brigitte Segmuller、Arnold Ybarra

  DOI：10.1080/00397919608002617

  日期：1996.5

  Hexamethylenetetramine/acetic anhydride-promoted alpha-methylenation of aryl alkyl ketones followed by acid-catalyzed cyclization of the resulting acrylophenones produce 2-alkyl indanones in excellent yields.
• CRAGOE E. J.;WOLTERSDORF O. W.;GOULD N. P.;PIETRUSZKIEWICZ A. M.;ZIEGLER +, J. MED. CHEM., 1986, 29, N 5, 825-841
  作者：CRAGOE E. J.、WOLTERSDORF O. W.、GOULD N. P.、PIETRUSZKIEWICZ A. M.、ZIEGLER +

  DOI：——

  日期：——
• FLUORENONE COMPOUND FOR THE TREATMENT OF GOUT
  申请人：Petrukhin Konstantin

  公开号：US20200246289A1

  公开（公告）日：2020-08-06

  The present invention provides a method for treating or preventing gout in a subject afflicted therewith comprising administering a compound presented or an ester or salt thereof, so as to thereby treat or prevent the gout in the subject.