4-(3-hydroxyphenyl)-3-(dimethylaminomethyl)thiacyclohexan-4-ol | 119558-20-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-(3-hydroxyphenyl)-3-(dimethylaminomethyl)thiacyclohexan-4-ol
• 英文别名: (3S,4S)-3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)thian-4-ol
• CAS: 119558-20-2；123324-16-3
• 化学式: C₁₄H₂₁NO₂S
• 分子量: 267.392
• InChiKey: OXSWTJCCCLUDOE-TZMCWYRMSA-N

物化性质

• 沸点：
  445.3±45.0 °C(Predicted)
• 密度：
  1.186±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  69
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-((dimethylamino)methyl)-4-(3-methoxyphenyl)tetrahydro-2H-thiopyran-4-ol 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 生成 4-(3-hydroxyphenyl)-3-(dimethylaminomethyl)thiacyclohexan-4-ol
  参考文献：
  名称：

  Urban, Jiri; Svatek, Emil; Ryska, Miroslav, Collection of Czechoslovak Chemical Communications, 1987, vol. 52, # 5, p. 1340 - 1351

  摘要：

  DOI：

文献信息

• PROCESS FOR THE PREPARATION OF TAPENTADOL AND ANALOGS THEREOF
  申请人：COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH

  公开号：US20220177413A1

  公开（公告）日：2022-06-09

  The present invention relates to a process for the preparation of tapentadol and analogs or compounds or stereoisomers of formula (I), Formula I wherein, A is aryl, heteroaryl, and cycloalkyl; R is H, OH, OR 1 , halogen, C 1 -C 12 alkyl, cycloalkyl, aryl or heteroaryl; R 1 is C 1 -C 12 alkyl, cycloalkyl, aryl or heteroaryl, wherein each of these groups may further be substituted with one or more substituent selected from H, OH, halogen, CN, NO 2 , C 1 -C 4 alkyl or phenyl. Further, the multi-step process involves no column chromatography purification until the very last step. This makes this process highly commercially viable and industrially useful.
• Urban, Jiri; Svatek, Emil; Ryska, Miroslav, Collection of Czechoslovak Chemical Communications, 1987, vol. 52, # 5, p. 1340 - 1351
  作者：Urban, Jiri、Svatek, Emil、Ryska, Miroslav、Metys, Jan、Wildt, Stanislav、Protiva, Miroslav

  DOI：——

  日期：——