5-(3,4-二氯苯基)环己烷-1,3-二酮 | 27463-42-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 5-(3,4-二氯苯基)环己烷-1,3-二酮
• 英文名称: 5-(3,4-dichlorophenyl)-1,3-cyclohexanedione
• 英文别名: 5-(3,4-dichloro-phenyl)-cyclohexane-1,3-dione；5-(3,4-Dichlorophenyl)cyclohexane-1,3-dione
• CAS: 27463-42-9
• 化学式: C₁₂H₁₀Cl₂O₂
• 分子量: 257.116
• InChiKey: RNSOWNAHAULUPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2914700090

反应信息

• 作为反应物：
  描述：

  5-(3,4-二氯苯基)环己烷-1,3-二酮 、 5-氯-N-甲基靛红酸酐 在 sodium hydride 作用下， 生成 7-chloro-3-(3,4-dichlorophenyl)-10-methyl-3,4-dihydro-2H-acridine-1,9-dione
  参考文献：
  名称：

  Antimalarial drugs. 64. Synthesis and antimalarial properties of 1-imino derivatives of 7-chloro-3-substituted-3,4-dihydro-1,9(2H,10H)-acridinediones and related structures

  摘要：

  To improve upon the activity and properties of the 3-aryl-7-chloro-3,4-dihydro-1,9(2H,10H)-acridinediones, a variety of 1-[(alkylamino)alkylene]imino derivatives (3) were prepared and shown to be highly active antimalarial agents in both rodents and primates. Among structural modifications prepared, including N-10-alkyl and C2-substituted analogs, removal of the C-9 oxygen, and introduction of an imino side chain at C-9, the imines of the N-10-H acridinediones were the most active compounds obtained. The [3-(NN-dimethylamino)propyl]imino derivative of 7-chloro-3-(2,4-dichlorophenyl)-3,4-dihydro-1,9(2H,10H)-acridinedione (9aa) proved to be highly active in advanced studies in primates.

  DOI：

  10.1021/jm00097a001
• 作为产物：
  描述：

  4-(3,4-二氯苯基)-3-丁烯-2-酮 在 sodium hydroxide 、 硫酸 、 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 12.5h， 生成 5-(3,4-二氯苯基)环己烷-1,3-二酮
  参考文献：
  名称：

  Antimalarial drugs. 64. Synthesis and antimalarial properties of 1-imino derivatives of 7-chloro-3-substituted-3,4-dihydro-1,9(2H,10H)-acridinediones and related structures

  摘要：

  To improve upon the activity and properties of the 3-aryl-7-chloro-3,4-dihydro-1,9(2H,10H)-acridinediones, a variety of 1-[(alkylamino)alkylene]imino derivatives (3) were prepared and shown to be highly active antimalarial agents in both rodents and primates. Among structural modifications prepared, including N-10-alkyl and C2-substituted analogs, removal of the C-9 oxygen, and introduction of an imino side chain at C-9, the imines of the N-10-H acridinediones were the most active compounds obtained. The [3-(NN-dimethylamino)propyl]imino derivative of 7-chloro-3-(2,4-dichlorophenyl)-3,4-dihydro-1,9(2H,10H)-acridinedione (9aa) proved to be highly active in advanced studies in primates.

  DOI：

  10.1021/jm00097a001

文献信息

• 7-Chloro-3-substituted aryl-3,4-dihydro-1,9(2H,10H) and 10 hydroxy
  申请人：Warner Lambert Company

  公开号：US04291034A1

  公开（公告）日：1981-09-22

  7-Chloro-3-substituted aryl-3,4-dihydro-1,9-(2H,1OH) and 10-hydroxy-acridinedioneimines and their pharmaceutically acceptable salts and a process for preparing them are disclosed and claimed. The compounds are useful in the treatment of protozoan diseases.

  揭示和声称了7-氯-3-取代基芳基-3,4-二氢-1,9-(2H,1OH)和10-羟基-喹啉二酮亚胺及其药用可接受盐的制备方法。这些化合物在原虫病的治疗中很有用。
• Substituted dihydropyridines and methods of use
  申请人：Hurt Ray Clarence

  公开号：US20070112015A1

  公开（公告）日：2007-05-17

  Compounds are provided that are modulators of the C5a receptor. The compounds are substituted dihydropyridines and are useful in pharmaceutical compositions, methods for the treatment of diseases and disorders involving the pathologic activtation of C5a receptors.

  提供了调节C5a受体的化合物。这些化合物是取代二氢吡啶，并可用于制药组合物、治疗涉及C5a受体病理性激活的疾病和障碍的方法。
• Duerckheimer; Raether; Seliger, Arzneimittel-Forschung/Drug Research, 1980, vol. 30, # 7, p. 1041 - 1046
  作者：Duerckheimer、Raether、Seliger、Seidenath

  DOI：——

  日期：——
• WERBEL, L. M.
  作者：WERBEL, L. M.

  DOI：——

  日期：——
• 7-Chloro-3-substituted aryl-3,4-dihydro-1,9(2H,10H) and 10-hydroxy acridinedioneimines, processes for producing the acridinedioneimines, and pharmaceutical compositions containing the acridinedioneimines
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0036718B1

  公开（公告）日：1985-01-02