| 170798-06-8

• 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
• CAS: 170798-06-8
• 化学式: C₁₆H₂₂BrNO₃
• 分子量: 356.26
• InChiKey: DIYJVKMZMLKAJC-AWEZNQCLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.84
• 重原子数：
  21.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  55.4
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  、 25,29,33,37-Tetramethyl-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene-6,12,18,39-tetrathiol 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以34%的产率得到
  参考文献：
  名称：

  Efficient Coupling of Amino Acid Derivatives to Rigid Organic Scaffolds: Model Syntheses for De Novo Proteins.

  摘要：

  We describe the coupling of amino acid derivatives to four different rigid organic macrocycles. The couplings were achieved in high yields, which augurs well for the coupling of polypeptides to the rigid macrocycles to create a new family of de novo proteins. We discuss the structure of the model compounds based on the hydrogen bonding patterns that are evident from their NMR and IR spectra.

  DOI：

  10.1016/0040-4020(95)00485-q
• 作为产物：
  描述：

  5-溴戊酰氯 、 (2S)-2-氨基-3-苯丙酸乙酯 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以98%的产率得到
  参考文献：
  名称：

  Efficient Coupling of Amino Acid Derivatives to Rigid Organic Scaffolds: Model Syntheses for De Novo Proteins.

  摘要：

  We describe the coupling of amino acid derivatives to four different rigid organic macrocycles. The couplings were achieved in high yields, which augurs well for the coupling of polypeptides to the rigid macrocycles to create a new family of de novo proteins. We discuss the structure of the model compounds based on the hydrogen bonding patterns that are evident from their NMR and IR spectra.

  DOI：

  10.1016/0040-4020(95)00485-q