(1R,1'R)-1-cyclohexyl-N-2'-hydroxy-1'-isopropylethyl-2-phenylethylamine hydrochloride | 93643-80-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (1R,1'R)-1-cyclohexyl-N-2'-hydroxy-1'-isopropylethyl-2-phenylethylamine hydrochloride
• 英文别名: (2R)-2-[[(1R)-1-cyclohexyl-2-phenylethyl]amino]-3-methylbutan-1-ol;hydrochloride
• CAS: 93643-80-2
• 化学式: C₁₉H₃₁NO*ClH
• 分子量: 325.922
• InChiKey: RKYAFCQLHBLTFO-VOMIJIAVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.21
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  32.3
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (1R,1'R)-1-cyclohexyl-N-2'-hydroxy-1'-isopropylethyl-2-phenylethylamine 、 盐酸 以86%的产率得到
  参考文献：
  名称：

  TAKAHASHI, HIROSHI;CHIDA, YASUHIRO;SUZUKI, TSUTOMU;ONISHI, HIRAKU;YANAURA+, CHEM. AND PHARM. BULL., 1984, 32, N 7, 2714-2723

  摘要：

  DOI：

文献信息

• Asymmetric .ALPHA.-substituted phenethylamines. IV. The synthesis and analgesic activity of optically pure (S) and (R)-1-cyclohexyl- and 1-cyclohexenyl-2-phenylethylamines.
  作者：HIROSHI TAKAHASHI、YASUHIRO CHIDA、TSUTOMU SUZUKI、HIRAKU ONISHI、SAIZO YANAURA

  DOI：10.1248/cpb.32.2714

  日期：——

  New optically pure (1S, 1'S)-and (1R, 1'R)-1-cycloalkyl-N-2'-hydroxy-1'-isopropylethyl-2-phenylethylamine hydrochlorides (3a-j) were synthesized in good yields. The analgesic activities of these hydrochlorides were evaluated by the acetic acid writhing method and the bradykinin-induced flexor reflex method. The structure of 3f'·HCl was elucidated by X-ray analysis. The relationship between the analgesic activity and the conformation of the 1-2 bond of these amines is discussed.

  以良好的收率合成了新的光学纯(1S, 1'S)-和(1R, 1'R)-1-环烷基-N-2'-羟基-1'-异丙基乙基-2-苯乙胺盐酸盐（3a-j）。这些盐酸盐的镇痛活性通过醋酸蠕动法和缓激肽诱发屈肌反射法进行了评估。通过 X 射线分析阐明了 3f'-HCl 的结构。讨论了镇痛活性与这些胺的 1-2 键构象之间的关系。