methyl 2-oxo-4-(2-oxo-1-phenyl-2-p-tolylethyl)chromane-3-carboxylate

• 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: methyl 2-oxo-4-(2-oxo-1-phenyl-2-p-tolylethyl)chromane-3-carboxylate
• 英文别名: Methyl 2-oxo-4-(2-oxo-1-phenyl-2-p-tolylethyl)-chroman-3-carboxylate；methyl 4-[2-(4-methylphenyl)-2-oxo-1-phenylethyl]-2-oxo-3,4-dihydrochromene-3-carboxylate
• 化学式: C₂₆H₂₂O₅
• 分子量: 414.458
• InChiKey: ATKCDCABFPTUCV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-溴-2-苯基-1-(对甲苯基)乙酮 、 2-氧代苯并吡喃-3-羧酸甲酯 在 锌 作用下， 以 乙醚 、 乙酸乙酯 为溶剂， 以60%的产率得到methyl 2-oxo-4-(2-oxo-1-phenyl-2-p-tolylethyl)chromane-3-carboxylate
  参考文献：
  名称：

  Reactions of zinc enolates derived from 1-aryl-2-bromo-2-phenylethanone and 2-bromoindan-1-one with alkyl 2-oxochromene-and 6-bromo-2-oxochromene-3-carboxylates

  摘要：

  Zinc enolates derived from 1-aryl-2-bromo-2-phenylethanone react with alkyl 2-oxochromene-3-carboxylates and methyl 6-bromo-2-oxochromene-3-carboxylate to give, respectively, alkyl 4-(2-aryl-2-oxo-lphenylethyl)-2-oxochroman-3-carboxylates and methyl 6-bromo-4-(2-aryl-2-oxo-1-phenylethyl)-2-oxochroman-3-carboxylate as a single stereoisomer. Zinc enolates derived from 2-bromoindan-1-one react with alkyl 2-oxochromene-3-carboxylates to give alkyl 2-oxo-4-(1-oxoindan-2-yl)chroman-3-carboxylates as a single stereoisomer.

  DOI：

  10.1134/s1070363206050203