1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one | 106174-97-4

• 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-dimethylpentan-3-one
• 英文别名: 1-(4-Hydroxy-3-methoxy-phenyl)-4,4-dimethyl-pentan-3-on；1-(4-Hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one
• CAS: 106174-97-4
• 化学式: C₁₄H₂₀O₃
• 分子量: 236.311
• InChiKey: UQICWCMGJKDDEK-UHFFFAOYSA-N

物化性质

• 沸点：
  353.4±27.0 °C(Predicted)
• 密度：
  1.053±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 以96%的产率得到(±)-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
• 作为产物：
  描述：

  3-甲氧基-4-[(四氢-2H-吡喃-2-基)氧基]苯甲醛 在 甲醇 、 nickel boride 、 氢气 、 sodium methylate 、 4-甲基苯磺酸吡啶 作用下， 以 甲醇 为溶剂， 反应 27.0h， 生成 1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one
  参考文献：
  名称：

  Selective hydrogenation of conjugated unsaturated ketones containing a hydroxyaryl substituent in the β-position

  摘要：

  A high selectivity was achieved in the Ni2B-catalyzed hydrogenation of alpha,beta-unsaturated ketones containing a hydroxyaryl (phenolic) substituent in the beta-position. The developed hydrogenation procedure was used to synthesize natural compounds of the phenylpropane series and their structural analogs.

  DOI：

  10.1134/s1070428017010055

文献信息

• Nomura; Hotta, Sci. Rep. Tohoku Univ., Ser. 1: Phys., Chem., Astron., vol. 14, p. 141
  作者：Nomura、Hotta

  DOI：——

  日期：——
• Selective hydrogenation of conjugated unsaturated ketones containing a hydroxyaryl substituent in the β-position
  作者：V. N. Kovalenko、A. S. Pratsko

  DOI：10.1134/s1070428017010055

  日期：2017.1

  A high selectivity was achieved in the Ni2B-catalyzed hydrogenation of alpha,beta-unsaturated ketones containing a hydroxyaryl (phenolic) substituent in the beta-position. The developed hydrogenation procedure was used to synthesize natural compounds of the phenylpropane series and their structural analogs.
• 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.