1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl-3-methyl-2-(3-(4-methylbenzoyl)thioureido) butanoate | 1350889-22-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl-3-methyl-2-(3-(4-methylbenzoyl)thioureido) butanoate
• CAS: 1350889-22-3
• 化学式: C₂₄H₃₅N₃O₄S
• 分子量: 461.626
• InChiKey: UUQQTOKRRIUYER-IBGZPJMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.39
• 重原子数：
  32.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  96.53
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  异氰环已烷 、 ((4-methylbenzoyl)carbamothioyl)-L-valine 、 丙酮 反应 3.0h， 以89%的产率得到1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl-3-methyl-2-(3-(4-methylbenzoyl)thioureido) butanoate
  参考文献：
  名称：

  One-pot synthesis of functionalized α-acyloxythioamides from N-Protected a-amino acids as an acid component in the passerini reaction in an ionic liquid

  摘要：

  N-Protected alpha-amino acids, prepared from benzoyl chlorides, KSCN and alpha-amino acids, were used as the acid component in the Passerini reaction, in an ionic liquid, to produce functionalized alpha-acyloxythioamides in 59-95% yields. The work-up procedure was fairly simple and the products did not require further purification.

  DOI：

  10.1007/bf03245894