3-benzyl-2,2-dimethylimidazolidin-4-one | 937396-37-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3-benzyl-2,2-dimethylimidazolidin-4-one
• CAS: 937396-37-7
• 化学式: C₁₂H₁₆N₂O
• mdl: MFCD24391326
• 分子量: 204.272
• InChiKey: PKHOFVIMUGPCRI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-benzyl-2,2-dimethylimidazolidin-4-one 在 bis-triphenylphosphine-palladium(II) chloride 、 sodium carbonate 、 N,N-二异丙基乙胺 、 间氯过氧苯甲酸 、 三氯氧磷 作用下， 以 乙二醇二甲醚 、 二氯甲烷 、 水 、 甲苯 为溶剂， 反应 17.5h， 生成 3-Benzyl-2,2-dimethyl-5-phenylimidazol-4-one
  参考文献：
  名称：

  A Novel Method for the Preparation of 4-Arylimidazolones

  摘要：

  A series of 4-arylimidazolones have been accessed via late-stage, palladium-mediated arylation of acetone- and cyclohexanone-derived 4-chloroimidazolones. The 4-chloroimidazolones were prepared via a novel rearrangement of the corresponding imidazolone N-oxides. This communication serves as an expansion of chemistry originally developed for our glucagon receptor antagonist program.

  DOI：

  10.1021/ol401165e
• 作为产物：
  描述：

  Boc-glycine-benzylamide 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 21.0h， 生成 3-benzyl-2,2-dimethylimidazolidin-4-one
  参考文献：
  名称：

  A Novel Method for the Preparation of 4-Arylimidazolones

  摘要：

  A series of 4-arylimidazolones have been accessed via late-stage, palladium-mediated arylation of acetone- and cyclohexanone-derived 4-chloroimidazolones. The 4-chloroimidazolones were prepared via a novel rearrangement of the corresponding imidazolone N-oxides. This communication serves as an expansion of chemistry originally developed for our glucagon receptor antagonist program.

  DOI：

  10.1021/ol401165e

文献信息

• Imidazolidinone Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease
  申请人：Barrow James C.

  公开号：US20090111832A1

  公开（公告）日：2009-04-30

  The present invention is directed to imidazolidinone compounds which are inhibitors of the beta-secretase enzyme and that are useful in the treatment of diseases in which the beta-secretase enzyme is involved, such as Alzheimer's disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the treatment of such diseases in which the beta-secretase enzyme is involved.

  本发明涉及咪唑啉酮化合物，其为beta-分泌酶酶的抑制剂，并且在治疗与beta-分泌酶酶有关的疾病，如阿尔茨海默病中有用。本发明还涉及包含这些化合物的制药组合物以及在治疗与beta-分泌酶酶有关的这些疾病中使用这些化合物和组合物的用途。
• Imidazolidinone compounds useful as β-secretase inhibitors for the treatment of Alzheimer's disease
  申请人：Merck. Sharp & Dohme Corp.

  公开号：US08003653B2

  公开（公告）日：2011-08-23

  The present invention is directed to imidazolidinone compounds which are inhibitors of the beta-secretase enzyme and that are useful in the treatment of diseases in which the beta-secretase enzyme is involved, such as Alzheimer's disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the treatment of such diseases in which the beta-secretase enzyme is involved.

  本发明涉及咪唑啉酮化合物，其为β-分泌酶酶的抑制剂，并且在治疗β-分泌酶酶参与的疾病，例如阿尔茨海默病中具有用途。本发明还涉及含有这些化合物的药物组合物以及在治疗β-分泌酶酶参与的这些疾病中使用这些化合物和组合物的用途。
• Formal Olefination and Acylaziridination of Imidazolones
  作者：Xing Dai、Michael W. Miller、Andrew W. Stamford

  DOI：10.1021/ol1007923

  日期：2010.6.18

  The first formal olefination and acylaziridination of imidazolones were obtained by cycloaddition of cyclic nitrones with alkenes and alkynes, respectively.
• WO2007/58862
  申请人：——

  公开号：——

  公开（公告）日：——
• IMIDAZOLIDINONE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP1951709B1

  公开（公告）日：2012-07-18