2,4-dimethyl-6-(4'-isopropyl-3'-methoxyphenyl)-3-methoxycyclohex-2-enone | 195001-31-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2,4-dimethyl-6-(4'-isopropyl-3'-methoxyphenyl)-3-methoxycyclohex-2-enone
• 英文别名: 3-Methoxy-6-(3-methoxy-4-propan-2-ylphenyl)-2,6-dimethylcyclohex-2-en-1-one
• CAS: 195001-31-1
• 化学式: C₁₉H₂₆O₃
• 分子量: 302.414
• InChiKey: NCSMBUFDDRKQTM-UHFFFAOYSA-N

物化性质

• 沸点：
  445.6±45.0 °C(Predicted)
• 密度：
  1.05±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,4-dimethyl-6-(4'-isopropyl-3'-methoxyphenyl)-3-methoxycyclohex-2-enone 在 盐酸 、 cerium(III) chloride 、 三氟化硼乙醚 作用下， 以 二氯甲烷 为溶剂， 反应 12.33h， 生成 1,4a-Dimethyl-2-oxo-6-methoxy-7-isopropyl-2,3,4,4a,5,6-hexahydro-phenanthren
  参考文献：
  名称：

  Use of Conjugated Dienones in Cyclialkylations:  Total Syntheses of Arucadiol, 1,2-Didehydromiltirone, (±)-Hinokione, (±)-Nimbidiol, Sageone, and Miltirone

  摘要：

  Functionalized hydrophenanthrenes can be prepared using a cyclialkylation-based strategy. These annulations are highly dependent on the directing effects of the arene substitutents and on conformational considerations. The utility of this methodology was featured in the syntheses of six diterpenoids.

  DOI：

  10.1021/jo970570q
• 作为产物：
  描述：

  2-(4'-isopropyl-3'-methoxyphenyl)butan-3-one 在 potassium tert-butylate 、 sodium hydride 、 对甲苯磺酸 作用下， 以 四氢呋喃 为溶剂， 反应 8.0h， 生成 2,4-dimethyl-6-(4'-isopropyl-3'-methoxyphenyl)-3-methoxycyclohex-2-enone
  参考文献：
  名称：

  Use of Conjugated Dienones in Cyclialkylations:  Total Syntheses of Arucadiol, 1,2-Didehydromiltirone, (±)-Hinokione, (±)-Nimbidiol, Sageone, and Miltirone

  摘要：

  Functionalized hydrophenanthrenes can be prepared using a cyclialkylation-based strategy. These annulations are highly dependent on the directing effects of the arene substitutents and on conformational considerations. The utility of this methodology was featured in the syntheses of six diterpenoids.

  DOI：

  10.1021/jo970570q

文献信息

• Use of Conjugated Dienones in Cyclialkylations:  Total Syntheses of Arucadiol, 1,2-Didehydromiltirone, (±)-Hinokione, (±)-Nimbidiol, Sageone, and Miltirone
  作者：George Majetich、Shuang Liu、Jing Fang、David Siesel、Yong Zhang

  DOI：10.1021/jo970570q

  日期：1997.10.1

  Functionalized hydrophenanthrenes can be prepared using a cyclialkylation-based strategy. These annulations are highly dependent on the directing effects of the arene substitutents and on conformational considerations. The utility of this methodology was featured in the syntheses of six diterpenoids.