(4-methoxy-phenyl)-(2-oxo-2-phenyl-1-p-tolyl-ethyl)-carbamic acid benzyl ester | 1006593-32-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (4-methoxy-phenyl)-(2-oxo-2-phenyl-1-p-tolyl-ethyl)-carbamic acid benzyl ester
• 英文别名: benzyl N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)-2-oxo-2-phenylethyl]carbamate
• CAS: 1006593-32-3
• 化学式: C₃₀H₂₇NO₄
• 分子量: 465.549
• InChiKey: YBLBSMDWKWWWQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  35
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (4-methoxy-phenyl)-(2-oxo-2-phenyl-1-p-tolyl-ethyl)-carbamic acid benzyl ester 在 乙酸铵 作用下， 以 溶剂黄146 为溶剂， 反应 16.0h， 生成 1-(4-methoxy-phenyl)-4-phenyl-5-p-tolyl-1,3-dihydro-imidazol-2-one
  参考文献：
  名称：

  Palladium-Catalyzed Carbonylative Cross-Coupling with Imines:  A Multicomponent Synthesis of Imidazolones

  摘要：

  [GRAPHICS]The palladium-catalyzed coupling of imines, chloroformates, organotin reagents, and carbon monoxide leads to the one-pot formation of ketocarbamates in good yields. These products can further be converted to highly substituted imidazolones via a cyclocondensation reaction. Overall, this methodology provides an alternative approach to imidazolones from five simple and readily available building blocks via a one-pot, multicomponent process.

  DOI：

  10.1021/jo701875b
• 作为产物：
  描述：

  (E)-N-(4-methoxyphenyl)-1-(p-tolyl)methanimine 、 一氧化碳 、 三丁基苯基锡 、 氯甲酸苄酯 在 tris(dibenzylideneacetone)dipalladium(0) chloroform complex 四丁基溴化铵 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 20.0 ℃ 、103.42 kPa 条件下， 反应 24.0h， 以87%的产率得到(4-methoxy-phenyl)-(2-oxo-2-phenyl-1-p-tolyl-ethyl)-carbamic acid benzyl ester
  参考文献：
  名称：

  Palladium-Catalyzed Carbonylative Cross-Coupling with Imines:  A Multicomponent Synthesis of Imidazolones

  摘要：

  [GRAPHICS]The palladium-catalyzed coupling of imines, chloroformates, organotin reagents, and carbon monoxide leads to the one-pot formation of ketocarbamates in good yields. These products can further be converted to highly substituted imidazolones via a cyclocondensation reaction. Overall, this methodology provides an alternative approach to imidazolones from five simple and readily available building blocks via a one-pot, multicomponent process.

  DOI：

  10.1021/jo701875b

文献信息

• Palladium-Catalyzed Carbonylative Cross-Coupling with Imines:  A Multicomponent Synthesis of Imidazolones
  作者：Ali R. Siamaki、Daniel A. Black、Bruce A. Arndtsen

  DOI：10.1021/jo701875b

  日期：2008.2.1

  [GRAPHICS]The palladium-catalyzed coupling of imines, chloroformates, organotin reagents, and carbon monoxide leads to the one-pot formation of ketocarbamates in good yields. These products can further be converted to highly substituted imidazolones via a cyclocondensation reaction. Overall, this methodology provides an alternative approach to imidazolones from five simple and readily available building blocks via a one-pot, multicomponent process.