methyl 5-(benzyl(2-(cyclohexylamino)-2-oxo-1-phenylethyl)amino)-2-(4-bromophenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxylate | 1415676-90-2

• 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: methyl 5-(benzyl(2-(cyclohexylamino)-2-oxo-1-phenylethyl)amino)-2-(4-bromophenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxylate
• 英文别名: methyl 5-[benzyl-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]amino]-2-(4-bromophenyl)-6-oxo-1H-pyrimidine-4-carboxylate
• CAS: 1415676-90-2
• 化学式: C₃₃H₃₃BrN₄O₄
• 分子量: 629.553
• InChiKey: HCOAIJCXSDVHHX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  42
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  100
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  methyl 2-(4-bromophenyl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylate 、 环己甲腈 、 (E)-N-benzylidenebenzylamine 以 甲醇 为溶剂， 反应 48.0h， 以70%的产率得到methyl 5-(benzyl(2-(cyclohexylamino)-2-oxo-1-phenylethyl)amino)-2-(4-bromophenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxylate
  参考文献：
  名称：

  Enols as Feasible Acid Components in the Ugi Condensation

  摘要：

  Heterocyclic enols are used for the first time as acid components in an Ugi-type multicomponent condensation. For that purpose, we have chosen enols containing a Michael acceptor, in order to facilitate an irreversible rearrangement of the primary Ugi adduct. The new four-component process leads readily and efficiently to heterocyclic enamines containing at least six elements of diversity.

  DOI：

  10.1021/ol302976g

文献信息

• Enols as Feasible Acid Components in the Ugi Condensation
  作者：Teresa G. Castellano、Ana G. Neo、Stefano Marcaccini、Carlos F. Marcos

  DOI：10.1021/ol302976g

  日期：2012.12.21

  Heterocyclic enols are used for the first time as acid components in an Ugi-type multicomponent condensation. For that purpose, we have chosen enols containing a Michael acceptor, in order to facilitate an irreversible rearrangement of the primary Ugi adduct. The new four-component process leads readily and efficiently to heterocyclic enamines containing at least six elements of diversity.