4-(3-羟基-4-甲基-戊基)-2-甲氧基-苯酚 | 452528-85-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 4-(3-羟基-4-甲基-戊基)-2-甲氧基-苯酚
• 英文名称: (±)-1-(4-Hydroxy-3-methoxyphenyl)-4-methyl-3-pentanol
• 英文别名: 4-(3-Hydroxy-4-methylpentyl)-2-methoxyphenol
• CAS: 452528-85-7
• 化学式: C₁₃H₂₀O₃
• 分子量: 224.3
• InChiKey: BVBDKDNRDXVLNV-UHFFFAOYSA-N

物化性质

• 沸点：
  364.2±27.0 °C(Predicted)
• 密度：
  1.073±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 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：

  4-(3-羟基-4-甲基-戊基)-2-甲氧基-苯酚 在 lead(IV) acetate 作用下， 以 丙酮 为溶剂， 反应 2.5h， 以83%的产率得到2-Isopropyl-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 tetrahydroborate 、 氢气 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 乙醇 、 乙酸乙酯 为溶剂， 生成 4-(3-羟基-4-甲基-戊基)-2-甲氧基-苯酚
  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

文献信息

• Studies towards the diastereoselective spiroannulation of phenolic derivatives
  作者：Guy L. Plourde

  DOI：10.1016/s0040-4039(02)00552-x

  日期：2002.5

  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.