4-(2-hydroxyethoxy)phenyl isobutyrate | 1346518-32-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 4-(2-hydroxyethoxy)phenyl isobutyrate
• CAS: 1346518-32-8
• 化学式: C₁₂H₁₆O₄
• 分子量: 224.257
• InChiKey: WSTYYMUXAKJTAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.62
• 重原子数：
  16.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  55.76
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4-(2-hydroxyethoxy)phenyl isobutyrate 以 甲醇 为溶剂， 以50%的产率得到1-[2-hydroxy-5-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one
  参考文献：
  名称：

  Deslongchamps Annulations with Benzoquinone Monoketals

  摘要：

  The so-called Deslongchamps annulation of deprotonated gamma,delta-unsaturated beta-ketoesters 15 to 2-(alkoxycarbonyl)cyclohex-2-en-1-ones or similarly activated cyclohex-2-en-1-ones offers a versatile access to various kinds of decalindiones. The scope of Deslongchamps annulations was extended by establishing acceptor-substituted benzoquinone monoketals such as 13 as viable substrates. They gave octalindiones such as 35 with diastereoselectivities >= 95:5.

  DOI：

  10.1021/ol202809y
• 作为产物：
  描述：

  对苯二酚 在 三乙胺 、 sodium hydroxide 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 21.0h， 生成 4-(2-hydroxyethoxy)phenyl isobutyrate
  参考文献：
  名称：

  Deslongchamps Annulations with Benzoquinone Monoketals

  摘要：

  The so-called Deslongchamps annulation of deprotonated gamma,delta-unsaturated beta-ketoesters 15 to 2-(alkoxycarbonyl)cyclohex-2-en-1-ones or similarly activated cyclohex-2-en-1-ones offers a versatile access to various kinds of decalindiones. The scope of Deslongchamps annulations was extended by establishing acceptor-substituted benzoquinone monoketals such as 13 as viable substrates. They gave octalindiones such as 35 with diastereoselectivities >= 95:5.

  DOI：

  10.1021/ol202809y