2,6-bis(5,6-dihydro-4H-1,3-oxazin-2-yl)pyridine | 1437314-51-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2,6-bis(5,6-dihydro-4H-1,3-oxazin-2-yl)pyridine
• CAS: 1437314-51-6
• 化学式: C₁₃H₁₅N₃O₂
• 分子量: 245.281
• InChiKey: ALMCDJOXAHVALL-UHFFFAOYSA-N

物化性质

• 沸点：
  452.1±30.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.42
• 重原子数：
  18.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  56.07
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  copper(II) perchlorate hexahydrate 、 2,6-bis(5,6-dihydro-4H-1,3-oxazin-2-yl)pyridine 、 sodium azide 以 甲醇 、 二氯甲烷 为溶剂， 反应 72.0h， 以60%的产率得到
  参考文献：
  名称：

  Constructing a Series of Azide‐Bridged Cu ^II Magnetic Low‐Dimensional Coordination Polymers by using Pybox Ligands

  摘要：

  AbstractFour azide–copper coordination polymers, [Cu2L1(N3)4]n, [Cu2L2(N3)4]n, [Cu2L3R(N3)4]n, and [Cu2L3S(N3)4]n, were synthesized by using pybox [pyridine‐2,6‐bis(oxazolines)] as coligands {L1: 2,6‐bis(4,5‐dihydrooxazol‐2‐yl)pyridine; L2: 2,6‐bis(5,6‐dihydro‐4H‐1,3‐oxazin‐2‐yl)pyridine; L3R or 3S: 2,6‐bis[(R or S)‐4‐benzyl‐4,5‐dihydrooxazol‐2‐yl]pyridine}. Compounds 1 and 2 possess similar 1D infinite azide–copper hexagonal tapes with three types of N3 bridges (two single end‐on N3 bridges and one double end‐on N3 bridge). Compounds 3R and 3S possess an azide–copper 2D honeycomb layer with two types of N3 bridges (a single end‐to‐end N3 bridge and a double end‐on N3 bridge). The chirality of these enantiopure layered structures is controlled by the addition of the chiral pybox ligand in the synthesis, which is very rare for the reported azide–copper coordination polymers. The double end‐on N3 bridge transfers mainly ferromagnetic exchange coupling interactions in these four compounds. Owing to the steric hindrance of the pybox ligands, the interchain and interlayer separations are broadened, which weakens the magnetic interactions between them. Thus, no long‐range ferromagnetic ordering was observed above 1.8 K. A magnetostructural correlation was also discussed in detail.

  DOI：

  10.1002/ejic.201300107
• 作为产物：
  描述：

  N2,N6-bis(3-chloropropyl)pyridine-2,6-dicarboxamide 在 40% potassium fluoride/alumina 作用下， 以 乙腈 为溶剂， 反应 48.0h， 以95%的产率得到2,6-bis(5,6-dihydro-4H-1,3-oxazin-2-yl)pyridine
  参考文献：
  名称：

  Constructing a Series of Azide‐Bridged Cu ^II Magnetic Low‐Dimensional Coordination Polymers by using Pybox Ligands

  摘要：

  AbstractFour azide–copper coordination polymers, [Cu2L1(N3)4]n, [Cu2L2(N3)4]n, [Cu2L3R(N3)4]n, and [Cu2L3S(N3)4]n, were synthesized by using pybox [pyridine‐2,6‐bis(oxazolines)] as coligands {L1: 2,6‐bis(4,5‐dihydrooxazol‐2‐yl)pyridine; L2: 2,6‐bis(5,6‐dihydro‐4H‐1,3‐oxazin‐2‐yl)pyridine; L3R or 3S: 2,6‐bis[(R or S)‐4‐benzyl‐4,5‐dihydrooxazol‐2‐yl]pyridine}. Compounds 1 and 2 possess similar 1D infinite azide–copper hexagonal tapes with three types of N3 bridges (two single end‐on N3 bridges and one double end‐on N3 bridge). Compounds 3R and 3S possess an azide–copper 2D honeycomb layer with two types of N3 bridges (a single end‐to‐end N3 bridge and a double end‐on N3 bridge). The chirality of these enantiopure layered structures is controlled by the addition of the chiral pybox ligand in the synthesis, which is very rare for the reported azide–copper coordination polymers. The double end‐on N3 bridge transfers mainly ferromagnetic exchange coupling interactions in these four compounds. Owing to the steric hindrance of the pybox ligands, the interchain and interlayer separations are broadened, which weakens the magnetic interactions between them. Thus, no long‐range ferromagnetic ordering was observed above 1.8 K. A magnetostructural correlation was also discussed in detail.

  DOI：

  10.1002/ejic.201300107