4-hydroxy-3-(α-hydroxybenzyl)-1-methyl-4-phenylpiperidine | 727407-83-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 4-hydroxy-3-(α-hydroxybenzyl)-1-methyl-4-phenylpiperidine
• 英文别名: 3-(α-hydroxy-benzyl)-1-methyl-4-phenyl-piperidin-4-ol；3-(Hydroxy-phenyl-methyl)-1-methyl-4-phenyl-piperidin-4-ol；3-[hydroxy(phenyl)methyl]-1-methyl-4-phenylpiperidin-4-ol
• CAS: 727407-83-2
• 化学式: C₁₉H₂₃NO₂
• 分子量: 297.397
• InChiKey: BGKCTMYJKSVGSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  43.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,4,6-三甲基苯硼酸 、 4-hydroxy-3-(α-hydroxybenzyl)-1-methyl-4-phenylpiperidine 以 甲苯 为溶剂， 以85%的产率得到6-methyl-2-mesityl-4,8a-diphenylperhydro[1,3,2]dioxaborinino[5,4-c]pyridine
  参考文献：
  名称：

  Synthesis and molecular structure of 2,4,8a-triaryl-6-methylperhydro[1,3,2]dioxaborinino[5,4-c]pyridines

  摘要：

  Condensation of arylboronic acids with 4-hydroxy-3-(alpha-hydroxybenzyl)-1-methyl-4phenylpiperidine afforded 2,4,8a-triarylperhydro[1,3,2]dioxaborinino[5,4-c]pyridines. The molecular structure of 6-methyl-2,4,8a-triphenylperhydro[1,3,2]dioxaborinino[5,4-c]pyridine was established by X-ray diffraction analysis.

  DOI：

  10.1023/b:rucb.0000037853.67560.1c
• 作为产物：
  描述：

  (4-羟基-1-甲基-4-苯基-3-哌啶基)苯基甲酮 在 乙醇 、 水 、 铂 作用下， 生成 4-hydroxy-3-(α-hydroxybenzyl)-1-methyl-4-phenylpiperidine
  参考文献：
  名称：

  THE REACTION OF ACETOPHENONE WITH FORMALDEHYDE AND METHYLAMINE HYDROCHLORIDE

  摘要：

  DOI：

  10.1021/jo01156a007

文献信息

• Synthesis and spectral characteristics of 2-aryl-6-methyl-and 2-aryl-6-benzyl-4,8a-diphenylperhydro[1,3,2]dioxaborinino[5,4-c]pyridines
  作者：Le Tuan Anh、K. B. Polyanskiy、J. A. Mamyrbekova、A. T. Soldatenkov、S. A. Soldatova、V. V. Kurilkin、P. B. Terentiev

  DOI：10.1007/s10593-008-0144-z

  日期：2008.8

  Aryl-N-methyl- and aryl-N-benzyl-B-substituted 4,8a-diphenylperhydro[1,3,2]dioxaborinino[5,4-c]pyridines, which are representatives of a new class of bicyclic compounds containing four heteroatoms, were synthesized from N-methyl- and N-benzyl-3-(alpha-hydroxybenzyl)-4-phenyl-gamma-piperidols by cyclocondensation with arylboronic acids. The H-1 NMR and mass spectra of these compounds were examined as well as mass spectra of previously obtained analogs.