l-N-[N'-(2-[vinyloxy]ethyl)thiocarbamoyl]ephedrine | 936450-54-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: l-N-[N'-(2-[vinyloxy]ethyl)thiocarbamoyl]ephedrine
• 英文别名: l-N-(N'-vinyloxyethylthiocarbamoyl)ephedrine；3-(2-ethenoxyethyl)-1-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-1-methylthiourea
• CAS: 936450-54-3
• 化学式: C₁₅H₂₂N₂O₂S
• 分子量: 294.418
• InChiKey: OCYXBVQMKRACOL-JSGCOSHPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  76.8
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  l-N-[N'-(2-[vinyloxy]ethyl)thiocarbamoyl]ephedrine 在 盐酸 作用下， 反应 3.0h， 生成 (4S,5R)-2-[2-(hydroxyethyl)imino]-3,4-dimethyl-5-phenyl-1,3-thiazolidin hydrochloride
  参考文献：
  名称：

  Synthesis and crystal structure of (4S,5R)-2-[2-(hydroxyethyl)imino]-3,4-dimethyl-5-phenyl-1,3-thiazolidine

  摘要：

  Acid hydrolysis of l-N-[AP-(2-vinyloxy)ethylcarbamothioyl]ephedrine was studied. The synthesized (4S,5R)-2-[2-(hydroxyethyl)imino]-3,4-dimethyl-5-phenyl-1,3-thiazolidine was studied by means of X-ray diffraction.

  DOI：

  10.1134/s1070363206070231
• 作为产物：
  描述：

  麻黄碱 、 2-(vinyloxy)ethyl isothiocyanate 以 乙醇 为溶剂， 反应 0.5h， 以86%的产率得到l-N-[N'-(2-[vinyloxy]ethyl)thiocarbamoyl]ephedrine
  参考文献：
  名称：

  Synthesis and crystal structure of (4S,5R)-3,4-dimethyl-5-phenyl-2-(hydroxyethylimino)-1,3-thiazolidine

  摘要：

  The acid hydrolysis l-N-(N'-vinyloxyethylthiocarbamoyl)ephedrine has been investigated and the X-ray diffraction analysis of the synthesised (4S,5R)-3,4-dimethyl-5-phenyl-2-(hydroxyethylinuno)-1,3-thiazolidine has been carried out.

  DOI：

  10.1070/mc2006v016n04abeh002211

文献信息

• Synthesis and crystal structure of (4S,5R)-2-[2-(hydroxyethyl)imino]-3,4-dimethyl-5-phenyl-1,3-thiazolidine
  作者：O. A. Nurkenov、A. M. Gazaliev、M. K. Ibraev、D. M. Turdybekov、A. S. Sultanov、K. M. Turdybekov、S. M. Adekenov

  DOI：10.1134/s1070363206070231

  日期：2006.7

  Acid hydrolysis of l-N-[AP-(2-vinyloxy)ethylcarbamothioyl]ephedrine was studied. The synthesized (4S,5R)-2-[2-(hydroxyethyl)imino]-3,4-dimethyl-5-phenyl-1,3-thiazolidine was studied by means of X-ray diffraction.
• Synthesis and crystal structure of (4S,5R)-3,4-dimethyl-5-phenyl-2-(hydroxyethylimino)-1,3-thiazolidine
  作者：Arstan M. Gazaliev、Oralgazy A. Nurkenov、Koblandy M. Turdybekov、Serik D. Fazylov、Marat K. Ibraev、Dastan M. Turdybekov、Meruert B. Issabaeva

  DOI：10.1070/mc2006v016n04abeh002211

  日期：2006.1

  The acid hydrolysis l-N-(N'-vinyloxyethylthiocarbamoyl)ephedrine has been investigated and the X-ray diffraction analysis of the synthesised (4S,5R)-3,4-dimethyl-5-phenyl-2-(hydroxyethylinuno)-1,3-thiazolidine has been carried out.