1-ethyl-3-(4'-fluorophenyl)urea | 905634-46-0

• 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-(4'-fluorophenyl)urea
• 英文别名: 1-ethyl-3-(4-fluorophenyl)urea
• CAS: 905634-46-0
• 化学式: C₉H₁₁FN₂O
• mdl: MFCD06088145
• 分子量: 182.198
• InChiKey: ROHMCKLVYZWWEX-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：

  1-ethyl-3-(4'-fluorophenyl)urea 在 sodium periodate 作用下， 以 乙醇 、 苯 为溶剂， 反应 1.0h， 生成 N-1'-p-fluorophenyl-N-3'-ethyl-2'H,3H,5'H-spiro[2-benzofuran-1,4'-imidazolidine]-2',3,5'-trione
  参考文献：
  名称：

  Synthesis and anticonvulsant activity of new N-1′,N-3′-disubstituted-2′H,3H,5′H-spiro-(2-benzofuran-1,4′-imidazolidine)-2′,3,5′-triones

  摘要：

  Thirteen new N-1',N-3'-disubstituted-2'H,3H,5'H-spiro-(2-benzofuran-1,4'-imidazolidine)-2',3,5-triones were synthesized and their pharmacological activity determined with the objective to better understand their SAR for anticonvulsant activity. The anticonvulsant effects of these compounds were evaluated by standard pentylenetetrazol (scPTZ test) and maximum electroshock seizure (MES test) models in mice. Most of the compounds showed ability to protect against the pentylenetetrazol-induced convulsions. Compound 3o (the N-1'-p-nitrophenyl, N-3'-ethyl derivative) in the N-1'-aryl, N-3'-alkyl disubstituted series exhibited maximum activity with ED50 of 41.8 mg/kg in scPTZ convulsion model. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.05.102
• 作为产物：
  描述：

  Cytochrome鎐frompigeonbreastmuscle 、 4-氟苯胺 在 copper diacetate 作用下， 以 2-甲基-2-丁醇 为溶剂， 反应 8.0h， 以70%的产率得到1-ethyl-3-(4'-fluorophenyl)urea
  参考文献：
  名称：

  铜（II）催化未活化的氨基甲酰胺和尿素与胺的氨基转移

  摘要：

  它们全都具有：伯羧酰胺和脲在铜催化剂的存在下与芳族和脂族胺反应，得到各种官能化的酰胺（请参阅方案）。

  DOI：

  10.1002/anie.201108599

文献信息

• 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.
• US7662910B2
  申请人：——

  公开号：US7662910B2

  公开（公告）日：2010-02-16