N-tert-butoxycarbonyl-D-p-dodecoxyphenylglycine methyl ester | 1174446-56-0

• 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: N-tert-butoxycarbonyl-D-p-dodecoxyphenylglycine methyl ester
• CAS: 1174446-56-0
• 化学式: C₂₆H₄₃NO₅
• 分子量: 449.631
• InChiKey: UHWOAUVKZGJFJX-HSZRJFAPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.73
• 重原子数：
  32.0
• 可旋转键数：
  15.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  73.86
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  N-tert-butoxycarbonyl-D-p-dodecoxyphenylglycine methyl ester 在 三氟乙酸 、 三乙胺 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 120.0h， 以41%的产率得到cyclo(D-p-dodecoxyphenylglycinyl-D-p-dodecoxyphenylglycinyl)
  参考文献：
  名称：

  Diketopiperazine Supramolecule Derived from Hydroxyphenylglycine

  摘要：

  A diketopiperazine (DKP) having long alkyl chains was synthesized from D-p-hydroxyphenylglycine, and the formation of supramolecules was examined. The (1)H NMR and UV-vis spectroscopic measurements and molecular modeling have suggested that the DKP molecules are aligned based on hydrogen bonding between the amide groups, and there is no stacking between the phenyl groups.

  DOI：

  10.3987/com-08-11635
• 作为产物：
  描述：

  溴代十二烷 、 (R)-methyl 2-((tert-butoxycarbonyl)amino)-2-(4-hydroxyphenyl)acetate 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以76%的产率得到N-tert-butoxycarbonyl-D-p-dodecoxyphenylglycine methyl ester
  参考文献：
  名称：

  Diketopiperazine Supramolecule Derived from Hydroxyphenylglycine

  摘要：

  A diketopiperazine (DKP) having long alkyl chains was synthesized from D-p-hydroxyphenylglycine, and the formation of supramolecules was examined. The (1)H NMR and UV-vis spectroscopic measurements and molecular modeling have suggested that the DKP molecules are aligned based on hydrogen bonding between the amide groups, and there is no stacking between the phenyl groups.

  DOI：

  10.3987/com-08-11635