1-ethyl-3-(3'-fluorophenyl)urea | 905634-51-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-ethyl-3-(3'-fluorophenyl)urea
• 英文别名: 1-Ethyl-3-(3-fluorophenyl)urea；1-ethyl-3-(3-fluorophenyl)urea
• CAS: 905634-51-7
• 化学式: C₉H₁₁FN₂O
• mdl: MFCD06088146
• 分子量: 182.198
• InChiKey: RMGBHVFKUBHUBN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  水合茚三酮 、 1-ethyl-3-(3'-fluorophenyl)urea 以 苯 为溶剂， 反应 0.75h， 以69.5%的产率得到3-ethyl-3a,8a-dihydroxy-1-(m-fluorophenyl)-1,3,3a,8a-tetrahydroindeno[1,2-d]imidazole-2,8-dione
  参考文献：
  名称：

  The Preparation and Characterization of Nineteen New Phthalidyl Spirohydantoins

  摘要：

  Nineteen new N,N'-disubstituted phthalidyl spirohydantoins (6a-s) were prepared for the purpose of pharmacological testing. Their structure was deduced from the IR, H-1-NMR, C-13-NMR, mass spectra and elemental analysis. The two possible structural isomers - only one of which is formed - can be distinguished unequivocally on the basis of selective diastercotopicity of the alpha-methylene hydrogens adjacent to N-3' of the hydantoin ring.

  DOI：

  10.3987/com-07-s(u)9
• 作为产物：
  描述：

  乙胺 、 异氰-3-氟基苯酯 以 四氢呋喃 为溶剂， 反应 0.5h， 以91.8%的产率得到1-ethyl-3-(3'-fluorophenyl)urea
  参考文献：
  名称：

  The Preparation and Characterization of Nineteen New Phthalidyl Spirohydantoins

  摘要：

  Nineteen new N,N'-disubstituted phthalidyl spirohydantoins (6a-s) were prepared for the purpose of pharmacological testing. Their structure was deduced from the IR, H-1-NMR, C-13-NMR, mass spectra and elemental analysis. The two possible structural isomers - only one of which is formed - can be distinguished unequivocally on the basis of selective diastercotopicity of the alpha-methylene hydrogens adjacent to N-3' of the hydantoin ring.

  DOI：

  10.3987/com-07-s(u)9

文献信息

• US7662910B2
  申请人：——

  公开号：US7662910B2

  公开（公告）日：2010-02-16
• US9944633B2
  申请人：——

  公开号：US9944633B2

  公开（公告）日：2018-04-17
• [EN] COMPOUNDS AND METHODS FOR THE TREATMENT OF ISOCITRATE DEHYDROGNASE RELATED DISEASES<br/>[FR] COMPOSÉS ET MÉTHODES DE TRAITEMENT DE MALADIES LIÉES À L'ISOCITRATE DÉSHYDROGÉNASE
  申请人：BROAD INST INC

  公开号：WO2012173682A2

  公开（公告）日：2012-12-20

  The invention relates to compounds of Formula I pharmaceutically acceptable salt, ester or prodrug thereof:
• The Preparation and Characterization of Nineteen New Phthalidyl Spirohydantoins
  作者：István Lengyel、Hardik J. Patel、Ralph A. Stephani

  DOI：10.3987/com-07-s(u)9

  日期：——

  Nineteen new N,N'-disubstituted phthalidyl spirohydantoins (6a-s) were prepared for the purpose of pharmacological testing. Their structure was deduced from the IR, H-1-NMR, C-13-NMR, mass spectra and elemental analysis. The two possible structural isomers - only one of which is formed - can be distinguished unequivocally on the basis of selective diastercotopicity of the alpha-methylene hydrogens adjacent to N-3' of the hydantoin ring.