(1R,3R)-3-Butyl-3-methyl-1-phenyl-3H-benzo[4,5]imidazo[1,2-c]oxazole | 213009-14-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: (1R,3R)-3-Butyl-3-methyl-1-phenyl-3H-benzo[4,5]imidazo[1,2-c]oxazole
• 英文别名: (1R,3R)-3-butyl-3-methyl-1-phenyl-1H-[1,3]oxazolo[3,4-a]benzimidazole
• CAS: 213009-14-4
• 化学式: C₂₀H₂₂N₂O
• 分子量: 306.407
• InChiKey: VIUYUVSRDSEAAZ-UYAOXDASSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (1R,3R)-3-Butyl-3-methyl-1-phenyl-3H-benzo[4,5]imidazo[1,2-c]oxazole 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 18.0h， 生成 (1R,3R)-3-Butyl-3,4-dimethyl-1-phenyl-3a,4-dihydro-3H-benzo[4,5]imidazo[1,2-c]oxazole
  参考文献：
  名称：

  Stereoselective synthesis of 2-(α-hydroxyalkyl)benzimidazoles

  摘要：

  Lithiated oxazolo[3,4-a]benzimidazole 4 reacted with various alkyl halides to give oxazolo[3,4-a]benzimidazoles 5a-d in good yields as single diastereoisomers. (R)-Benzimidazol-2-y1 carbinols 6a-d were obtained upon hydrolysis under acidic conditions of 1H,3H-oxazolo[3,4-a]benzimidazole derivatives. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(98)00202-x
• 作为产物：
  描述：

  (1R,3S)-3-Methyl-1-phenyl-3H-benzo[4,5]imidazo[1,2-c]oxazole 、 alkaline earth salt of/the/ methylsulfuric acid 在 四甲基乙二胺 、 仲丁基锂 作用下， 生成 (1R,3R)-3-Butyl-3-methyl-1-phenyl-3H-benzo[4,5]imidazo[1,2-c]oxazole
  参考文献：
  名称：

  Stereoselective synthesis of 2-(α-hydroxyalkyl)benzimidazoles

  摘要：

  Lithiated oxazolo[3,4-a]benzimidazole 4 reacted with various alkyl halides to give oxazolo[3,4-a]benzimidazoles 5a-d in good yields as single diastereoisomers. (R)-Benzimidazol-2-y1 carbinols 6a-d were obtained upon hydrolysis under acidic conditions of 1H,3H-oxazolo[3,4-a]benzimidazole derivatives. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(98)00202-x

文献信息

• Stereoselective synthesis of 2-(α-hydroxyalkyl)benzimidazoles
  作者：Alan R. Katritzky、Diana C. Aslan、Daniela C. Oniciu

  DOI：10.1016/s0957-4166(98)00202-x

  日期：1998.7

  Lithiated oxazolo[3,4-a]benzimidazole 4 reacted with various alkyl halides to give oxazolo[3,4-a]benzimidazoles 5a-d in good yields as single diastereoisomers. (R)-Benzimidazol-2-y1 carbinols 6a-d were obtained upon hydrolysis under acidic conditions of 1H,3H-oxazolo[3,4-a]benzimidazole derivatives. (C) 1998 Elsevier Science Ltd. All rights reserved.