1,3-dihydro-4-(4-methoxybenzoyl)-5-methyl-2H-1,3-imidazol-2-one | 77671-29-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,3-dihydro-4-(4-methoxybenzoyl)-5-methyl-2H-1,3-imidazol-2-one
• 英文别名: 1,3-dihydro-4-(4-methoxybenzoyl)-5-methyl-2H-imidazol-2-one；2H-Imidazol-2-one, 1,3-dihydro-4-(4-methoxybenzoyl)-5-methyl-；4-(4-methoxybenzoyl)-5-methyl-1,3-dihydroimidazol-2-one
• CAS: 77671-29-5
• 化学式: C₁₂H₁₂N₂O₃
• 分子量: 232.239
• InChiKey: LVWABRLJVBQEFZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  67.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3-dihydro-4-(4-methoxybenzoyl)-5-methyl-2H-1,3-imidazol-2-one 在 吡啶盐酸盐 作用下， 生成 5-[(4-hydroxyphenyl)carbonyl]-4-methyl-4-imidazolin-2-one
  参考文献：
  名称：

  4-Aroylimidazol-2-ones and their use as pharmaceuticals

  摘要：

  以下是上述结构的4-芳基咪唑啉-2-酮类化合物的中文翻译：Ar为2-呋喃基、2-噻吩基或苯基，后者可以选择性地用一个或两个X基团取代；X为卤素、羟基、C.sub.1-4烷基、C.sub.1-4烷氧基、亚甲二氧基、C.sub.1-4烷硫基、C.sub.1-4烷基亚氧基、C.sub.1-4烷基磺醚基、CF.sub.3、--SO.sub.2 N(R.sub.2).sub.2、NR.sub.3 R.sub.4、吡咯啉基、哌啶基、吗啉基、哌嗪基或N'-烷基-哌嗪基，R为氢、C.sub.1-4烷基、C.sub.1-4烷基羰基或苄基；R.sub.1、R.sub.2、R.sub.3和R.sub.4中的每一个均为氢或C.sub.1-4烷基；以及其药学上可接受的盐。

  公开号：

  US04405635A1
• 作为产物：
  描述：

  4-甲基-1,3-二氢咪唑-2-酮 、 对甲氧基苯甲酰氯 在 三氯化铝 作用下， 以 硝基苯 为溶剂， 以30%的产率得到1,3-dihydro-4-(4-methoxybenzoyl)-5-methyl-2H-1,3-imidazol-2-one
  参考文献：
  名称：

  El-Moselhy, Tarek F.; El-Kersh, Mohamed A.; Nyberg, Fred, Medicinal Chemistry Research, 1998, vol. 8, # 3, p. 163 - 170

  摘要：

  DOI：

文献信息

• 4-Aroylimidazol-2-ones and their use as pharmaceuticals
  申请人：Merrell Dow Pharmaceuticals Inc.

  公开号：US04405635A1

  公开（公告）日：1983-09-20

  Novel 4-aroylimidazol-2-ones of the following general structure which are useful as antihypertensives, cardiotonics, antithrombotics, bronchodilators and uterospasmolytics ##STR1## wherein Ar is 2-furyl, 2-thienyl or phenyl, the latter of which may optionally be substituted with one or two X groups; X is halogen, hydroxy, C.sub.1-4 alkyl, C.sub.1-4 alkoxy, methylenedioxy, C.sub.1-4 alkylthio, C.sub.1-4 alkylsulfoxide, C.sub.1-4 alkylsulfone, CF.sub.3, --SO.sub.2 N(R.sub.2).sub.2, NR.sub.3 R.sub.4, pyrrolidino, piperidino, morpholino, piperazino or N'-alkyl-piperazino, R is hydrogen, C.sub.1-4 alkyl, C.sub.1-4 alkylcarbonyl or benzyl; each of R.sub.1, R.sub.2, R.sub.3 and R.sub.4 are hydrogen or C.sub.1-4 alkyl; and the pharmaceutically acceptable salts thereof.

  以下是上述结构的4-芳基咪唑啉-2-酮类化合物的中文翻译：Ar为2-呋喃基、2-噻吩基或苯基，后者可以选择性地用一个或两个X基团取代；X为卤素、羟基、C.sub.1-4烷基、C.sub.1-4烷氧基、亚甲二氧基、C.sub.1-4烷硫基、C.sub.1-4烷基亚氧基、C.sub.1-4烷基磺醚基、CF.sub.3、--SO.sub.2 N(R.sub.2).sub.2、NR.sub.3 R.sub.4、吡咯啉基、哌啶基、吗啉基、哌嗪基或N'-烷基-哌嗪基，R为氢、C.sub.1-4烷基、C.sub.1-4烷基羰基或苄基；R.sub.1、R.sub.2、R.sub.3和R.sub.4中的每一个均为氢或C.sub.1-4烷基；以及其药学上可接受的盐。
• 4-(4-Phenyl-1-piperidinyl)methyl-5-acyl-1,3-dihydro-2H-imidazol-2-ones
  申请人：Merrell Dow Pharmaceuticals Inc.

  公开号：US04329471A1

  公开（公告）日：1982-05-11

  1,3-Dihydro-2H-imidazol-2-ones having 5-acyl and 4-(4-phenyl-1-piperidinyl)methyl substituents, are useful as cardiotonics, antihypertensives and antithrombotic agents. The compounds are obtained by the reaction of an appropriate substituted piperidine with a substituted 4-bromomethyl-1,3-dihydro-2H-imidazol-2-one.

  具有5-酰基和4-(4-苯基-1-哌啶基)甲基取代基的1,3-二氢-2H-咪唑-2-酮，可用作心脏强心剂、降压剂和抗血栓剂。该化合物是通过将适当取代的哌啶与取代的4-溴甲基-1,3-二氢-2H-咪唑-2-酮反应得到的。
• 4-Aminomethyl-5-acyl-1,3-dihydro-2H-imidazol-2-ones
  申请人：Merrell Dow Pharmaceuticals Inc.

  公开号：US04381393A1

  公开（公告）日：1983-04-26

  1,3-Dihydro-2H-imidazol-2-ones having 5-acyl and 4-(substituted amino)methyl substituents, are useful as cardiotonics, antihypertensives and antithrombotic agents. The compounds are obtained by the reaction of an appropriate amine with a substituted 4-bromomethyl-1,3-dihydro-2H-imidazol-2-one.

  具有5-酰基和4-(取代氨基)甲基取代基的1,3-二氢咪唑-2-酮在心脏强心剂、降压剂和抗血栓剂方面具有用途。该化合物是通过适当胺与取代的4-溴甲基-1,3-二氢咪唑-2-酮反应而得到的。
• [1,2-Dihydro-4(5)-acyl-2-oxo-2H-imidazol-4(5)-yl] methyl nitrates
  申请人：Merrell Dow Pharmaceuticals Inc.

  公开号：US04526981A1

  公开（公告）日：1985-07-02

  1,3-Dihydro-2H-imidazol-2-ones having 5-acyl and 4-oxymethyl substituents, are useful as cardiotonics, antihypertensives and antithrombotic agents. The compounds are obtained by the reaction of an appropriate alcohol or a silver salt with a substituted 4-bromomethyl-1,3-dihydro-2H-imidazol-2-one.

  具有5-酰基和4-氧甲基取代基的1,3-二氢-2H-咪唑-2-酮，可用作心脏强心剂、降压剂和抗血栓剂。该化合物是通过将适当的醇或银盐与取代的4-溴甲基-1,3-二氢-2H-咪唑-2-酮反应而得到的。
• Novel 4-aroylimidazol-2-ones
  申请人：MERRELL DOW PHARMACEUTICALS INC.

  公开号：EP0058435A2

  公开（公告）日：1982-08-25

  Novel 4-aroylimidazol-2-ones of the following general structure which are useful as antihypertensives, cardiotonics and antithrombotics wherein Ar is 2-furyl, 2-thienyl or phenyl, the latter of which may optionally be substituted with one or two X groups; X is halogen, hydroxy, C1-4 alkyl, C1-4 alkoxy, methylenedioxy, C1-4 alkylthio, C1-4 alkylsulfoxide, C1-4 alkylsufone, CF3, -SO2N(R2)2, NR3R4, pyrrolidino, piperidino, morpholino, piperazino or N'-alkyl-piperazino, R is hydrogen, C1-4 alkyl, C1-4 alkylcarbonyl or benzyl; each of R1, R2, R3 and R4 are hydrogen or C1-4 alkyl; and the pharmaceutically acceptable salts thereof.

  具有以下一般结构的新型 4-芳基咪唑-2-酮，可用作抗高血压药、强心剂和抗血栓药 其中 Ar 是 2-呋喃基、2-噻吩基或苯基，后者可任选被一个或两个 X 基团取代；X 是卤素、羟基、C1-4 烷基、C1-4 烷氧基、亚甲基二氧基、C1-4 烷硫基、C1-4 烷基亚砜、C1-4 烷基砜、CF3、-SO2N(R2)2、NR3R4、吡咯烷基、哌啶基、吗啉基、哌嗪基或 N'- 烷基哌嗪基，R 是氢、C1-4 烷基、C1-4 烷基羰基或苄基；R1、R2、R3 和 R4 各为氢或 C1-4 烷基；及其药学上可接受的盐类。