| 952673-25-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• CAS: 952673-25-5
• 化学式: C₃₁H₄₀N₄O₇
• 分子量: 580.681
• InChiKey: ZFSXIBOZIXZNLI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.76
• 重原子数：
  42.0
• 可旋转键数：
  11.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  137.97
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  在 氢氧化钾 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 16.0h， 生成
  参考文献：
  名称：

  The Herringbone Helix:  A Noncanonical Folding in Aromatic−Aliphatic Peptides

  摘要：

  Hybrid oligomeric sequences derived from both aliphatic and aromatic units are shown to adopt a folded conformation with an unprecedented architecture. Specifically, a delta-amino acid bearing an aliphatic amine-6-aminomethyl-2-pyridinecarboxylic (P)-was designed and synthesized as a flexible analogue of 6-amino-2-quinolinecarboxylic acid (Q). Oligomers P-n (n = 2, 4, 8) were first synthesized but show no sign of folding in solution in organic solvents, unlike the Q(n) oligomers from which they are derived, which adopt particularly stable helical conformations. Hybrid oligomers (PQ)(n) (n = 1, 2, 4) were also prepared and were shown to adopt a novel folded conformation in the solid state where PQ units arrange into two stacks at a 90 angle from each other. Comprehensive NMR studies demonstrate that in solution this peculiar organization coexists with a helical conformation resembling that of Qnn oligomers.

  DOI：

  10.1021/ja074285s
• 作为产物：
  描述：

  、 methyl 8-amino-4-isobutoxyquinoline-2-carboxylate 在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以696 mg的产率得到
  参考文献：
  名称：

  The Herringbone Helix:  A Noncanonical Folding in Aromatic−Aliphatic Peptides

  摘要：

  Hybrid oligomeric sequences derived from both aliphatic and aromatic units are shown to adopt a folded conformation with an unprecedented architecture. Specifically, a delta-amino acid bearing an aliphatic amine-6-aminomethyl-2-pyridinecarboxylic (P)-was designed and synthesized as a flexible analogue of 6-amino-2-quinolinecarboxylic acid (Q). Oligomers P-n (n = 2, 4, 8) were first synthesized but show no sign of folding in solution in organic solvents, unlike the Q(n) oligomers from which they are derived, which adopt particularly stable helical conformations. Hybrid oligomers (PQ)(n) (n = 1, 2, 4) were also prepared and were shown to adopt a novel folded conformation in the solid state where PQ units arrange into two stacks at a 90 angle from each other. Comprehensive NMR studies demonstrate that in solution this peculiar organization coexists with a helical conformation resembling that of Qnn oligomers.

  DOI：

  10.1021/ja074285s