2-叔丁氧基-2-(4-叔丁基苯基)乙醇 | 1021494-63-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-叔丁氧基-2-(4-叔丁基苯基)乙醇
• 英文名称: 2-tert-butoxy-2-(4-tert-butylphenyl)ethanol
• 英文别名: 2-(4-Tert-butylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol；2-(4-tert-butylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
• CAS: 1021494-63-2
• 化学式: C₁₆H₂₆O₂
• 分子量: 250.381
• InChiKey: UOOBOTKMSVQSGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-(4-(叔丁基)苯基)环氧乙烷 、 叔丁醇 在 1,3-双[3,5-双(三氟甲基)苯基]硫脲 、 扁桃酸 作用下， 反应 16.0h， 以65%的产率得到2-叔丁氧基-2-(4-叔丁基苯基)乙醇
  参考文献：
  名称：

  Cooperative Brønsted Acid-Type Organocatalysis:  Alcoholysis of Styrene Oxides

  摘要：

  We present a mild and efficient method for the completely regioselective alcoholysis of styrene oxides utilizing a cooperative Bronsted acid-type organocatalytic system comprised of mandelic acid (1 mol %) and N,N'-bis-[3,5-bis-(trifluoromethyl)phenyl]-thiourea (1 mol %). Various styrene oxides are readily transformed into their corresponding beta-alkoxy alcohols in good to excellent yields at full conversion. Simple aliphatic and sterically demanding, as well as unsaturated and acid-sensitive alcohols can be employed.

  DOI：

  10.1021/ol800149y

文献信息

• Cooperative Brønsted Acid-Type Organocatalysis:  Alcoholysis of Styrene Oxides
  作者：Torsten Weil、Mike Kotke、Christian M. Kleiner、Peter R. Schreiner

  DOI：10.1021/ol800149y

  日期：2008.4.1

  We present a mild and efficient method for the completely regioselective alcoholysis of styrene oxides utilizing a cooperative Bronsted acid-type organocatalytic system comprised of mandelic acid (1 mol %) and N,N'-bis-[3,5-bis-(trifluoromethyl)phenyl]-thiourea (1 mol %). Various styrene oxides are readily transformed into their corresponding beta-alkoxy alcohols in good to excellent yields at full conversion. Simple aliphatic and sterically demanding, as well as unsaturated and acid-sensitive alcohols can be employed.