4-methoxy-2-methyl-3,5-cycloheptadien-1-one | 90534-26-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-methoxy-2-methyl-3,5-cycloheptadien-1-one
• 英文别名: 2-Methyl-4-methoxy-cyclohepta-3,5-dien-1-on；4-Methoxy-2-methylcyclohepta-3,5-dien-1-one
• CAS: 90534-26-2
• 化学式: C₉H₁₂O₂
• 分子量: 152.193
• InChiKey: ONADEWIFLRJVAE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-甲氧基-2,4,6-环庚三烯-1-酮 、 甲基溴化镁 以 四氢呋喃 为溶剂， 反应 0.5h， 以56%的产率得到4-methoxy-2-methyl-3,5-cycloheptadien-1-one
  参考文献：
  名称：

  Regioselective Addition of Grignard Reagents to Substituted Tropones

  摘要：

  Methyl magnesium bromide has been reacted with a variety of substituted tropones to establish addition regioselectivity patterns. High levels of selectivity were observed in each case examined, and the resultant dihydrotropones were easily converted into highly substituted cycloheptatrienes.

  DOI：

  10.1080/00397919508011490

文献信息

• Regioselective Addition of Grignard Reagents to Substituted Tropones
  作者：James H. Rigby、Valérie de Sainte Claire

  DOI：10.1080/00397919508011490

  日期：1995.12

  Methyl magnesium bromide has been reacted with a variety of substituted tropones to establish addition regioselectivity patterns. High levels of selectivity were observed in each case examined, and the resultant dihydrotropones were easily converted into highly substituted cycloheptatrienes.