(±)-1-(4-Hydroxy-3-methoxyphenyl)-4,4-dimethyl-3-pentanol | 452528-90-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: (±)-1-(4-Hydroxy-3-methoxyphenyl)-4,4-dimethyl-3-pentanol
• 英文别名: 4-(3-Hydroxy-4,4-dimethylpentyl)-2-methoxyphenol
• CAS: 452528-90-4
• 化学式: C₁₄H₂₂O₃
• 分子量: 238.327
• InChiKey: UKDUGDSHEVWREH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (±)-1-(4-Hydroxy-3-methoxyphenyl)-4,4-dimethyl-3-pentanol 在 lead(IV) acetate 作用下， 以 丙酮 为溶剂， 反应 2.5h， 以69%的产率得到2-tert-Butyl-7-methoxy-1-oxa-spiro[4.5]deca-6,9-dien-8-one
  参考文献：
  名称：

  Studies towards the diastereoselective spiroannulation of phenolic derivatives

  摘要：

  The oxidative spiroannulation of simple phenols bearing a chiral center was carried out. Good yields (61-83%) of spirocompounds were obtained. An increase in diastereomeric ratios front 55/45 to 81/19 was observed as the steric factor Surrounding the chiral carbon increased. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00552-x
• 作为产物：
  描述：

  4-苄氧基-3-甲氧基苯甲醛 在 palladium on activated charcoal sodium hydroxide 、 sodium tetrahydroborate 、 氢气 作用下， 以 四氢呋喃 、 乙醇 、 乙酸乙酯 为溶剂， 生成 (±)-1-(4-Hydroxy-3-methoxyphenyl)-4,4-dimethyl-3-pentanol
  参考文献：
  名称：

  Studies towards the diastereoselective spiroannulation of phenolic derivatives

  摘要：

  The oxidative spiroannulation of simple phenols bearing a chiral center was carried out. Good yields (61-83%) of spirocompounds were obtained. An increase in diastereomeric ratios front 55/45 to 81/19 was observed as the steric factor Surrounding the chiral carbon increased. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00552-x