1-(5-Hexenyl)-1,2-bis(3-cyanoethoxy)ethane | 140605-28-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-(5-Hexenyl)-1,2-bis(3-cyanoethoxy)ethane
• 英文别名: 3-[2-(2-cyanoethoxy)oct-7-enoxy]propanenitrile
• CAS: 140605-28-3
• 化学式: C₁₄H₂₂N₂O₂
• 分子量: 250.341
• InChiKey: NPHMWCBLRNXSPY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.96
• 重原子数：
  18.0
• 可旋转键数：
  12.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  66.04
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1-(5-Hexenyl)-1,2-bis(3-cyanoethoxy)ethane 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 10.0h， 以27%的产率得到1,10-Diamino-5-(5-hexenyl)-4,7-dioxadecane
  参考文献：
  名称：

  Preparation and cation complexing properties of some macropolycyclic ligands

  摘要：

  Five new cryptands have been prepared by a 2:1 cyclocondensation of an alpha,omega-dihalide with an alpha,omega-diamine. In some cases, other products, such as bis(aza-12-crown-4) ligands and products of a 4:2 cyclocondensation, were isolated also. The structures of the cryptands and bis(aza-crown)s of the game molecular weight were established after careful analysis by C-13 NMR and X-ray spectroscopy and a few independent syntheses of the bis(aza-crown) ethers. A new TLC test has been developed to distinguish between the cryptands and the bis(aza-crown)s. Log K values for the interaction of two cryptands, each containing two propylene bridges in one arm, with various cations were determined. The results show a much weaker interaction of the cryptands containing two propylene bridges with various cations than that for the corresponding cryptands with only ethylene bridges. The most stable complexes of these new propylene-containing cryptands were those involving Ba2+ and Sr2+ ions. X-ray analyses of three cryptands, each of which has the [18]N2O4 macrocycle as part of its structure, show different organizations for the ring heteroatoms.

  DOI：

  10.1021/jo00037a038
• 作为产物：
  描述：

  7,8-二羟基-1-辛烯 、 丙烯腈 在 氢氧化钾 作用下， 生成 1-(5-Hexenyl)-1,2-bis(3-cyanoethoxy)ethane
  参考文献：
  名称：

  Preparation and cation complexing properties of some macropolycyclic ligands

  摘要：

  Five new cryptands have been prepared by a 2:1 cyclocondensation of an alpha,omega-dihalide with an alpha,omega-diamine. In some cases, other products, such as bis(aza-12-crown-4) ligands and products of a 4:2 cyclocondensation, were isolated also. The structures of the cryptands and bis(aza-crown)s of the game molecular weight were established after careful analysis by C-13 NMR and X-ray spectroscopy and a few independent syntheses of the bis(aza-crown) ethers. A new TLC test has been developed to distinguish between the cryptands and the bis(aza-crown)s. Log K values for the interaction of two cryptands, each containing two propylene bridges in one arm, with various cations were determined. The results show a much weaker interaction of the cryptands containing two propylene bridges with various cations than that for the corresponding cryptands with only ethylene bridges. The most stable complexes of these new propylene-containing cryptands were those involving Ba2+ and Sr2+ ions. X-ray analyses of three cryptands, each of which has the [18]N2O4 macrocycle as part of its structure, show different organizations for the ring heteroatoms.

  DOI：

  10.1021/jo00037a038