3-tert-butyl-2-hydroxy-5-methylpropiophenone | 133903-09-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-tert-butyl-2-hydroxy-5-methylpropiophenone
• 英文别名: 1-(3-Tert-butyl-2-hydroxy-5-methylphenyl)propan-1-one
• CAS: 133903-09-0
• 化学式: C₁₄H₂₀O₂
• 分子量: 220.312
• InChiKey: PDBMEYHKXGHLGQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  在 氯化铵 作用下， 以 正戊烷 为溶剂， 生成 2,6-di-tert-butyl-4-methylphenyl propionate 、 3-tert-butyl-2-hydroxy-5-methylpropiophenone
  参考文献：
  名称：

  Acylation and esterification of the aryloxide ligand in [AIMe(dbmp)₂]. Crystal structures of [AIMe(dbmp)-(bhmap)], Hbhmap and OC(dbmp)Bu^t(Hdbmp = 2,6-di-tert-butyl-4-methylphenol, Hbhmap = 3-tert-butyl-2-hydroxy-5-methylacetophenone)

  摘要：

  The reaction of [AlMe(dbmp)2] (Hdbmp = 2,6-di-tert-butyl-4-methylphenol) with O = C(Cl)Me leads to acylation of one of the dbmp ligands and affords [AlMe(dbmp)(bhmap)] 1 (Hbhmap = 3-tert-butyl-2-hydroxy-5-methylacetophenone). Hydrolysis of 1 yields uncomplexed Hbhmap 5. The Et, Pr(i) and Ph analogues of 1 and 5 have been obtained by the use of the appropriate acyl chloride. By contrast, the interaction of [AlMe(dbmp)2] with O = C(Cl)Bu(t) results in the formation of O = C(dbmp)Bu(t) 12 and [AlCl2(dbmp){O = C(Me)Bu(t)}] 13. The molecular structures of 1,5 and 12 have been confirmed by X-ray crystallography.

  DOI：

  10.1039/dt9910000241

文献信息

• Acylation and esterification of the aryloxide ligand in [AIMe(dbmp)₂]. Crystal structures of [AIMe(dbmp)-(bhmap)], Hbhmap and OC(dbmp)Bu^t(Hdbmp = 2,6-di-tert-butyl-4-methylphenol, Hbhmap = 3-tert-butyl-2-hydroxy-5-methylacetophenone)
  作者：Michael B. Power、Simon G. Bott、Elizabeth J. Bishop、Kelli D. Tierce、Jerry L. Atwood、Andrew R. Barron

  DOI：10.1039/dt9910000241

  日期：——

  The reaction of [AlMe(dbmp)2] (Hdbmp = 2,6-di-tert-butyl-4-methylphenol) with O = C(Cl)Me leads to acylation of one of the dbmp ligands and affords [AlMe(dbmp)(bhmap)] 1 (Hbhmap = 3-tert-butyl-2-hydroxy-5-methylacetophenone). Hydrolysis of 1 yields uncomplexed Hbhmap 5. The Et, Pr(i) and Ph analogues of 1 and 5 have been obtained by the use of the appropriate acyl chloride. By contrast, the interaction of [AlMe(dbmp)2] with O = C(Cl)Bu(t) results in the formation of O = C(dbmp)Bu(t) 12 and [AlCl2(dbmp)O = C(Me)Bu(t)}] 13. The molecular structures of 1,5 and 12 have been confirmed by X-ray crystallography.