N-[2-(4-吡啶)乙基]-4-吡啶甲酰胺 | 681161-17-1

• 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
• 中文名称: N-[2-(4-吡啶)乙基]-4-吡啶甲酰胺
• 中文别名: N-[2-(4-吡啶基)乙基]-4-吡啶甲酰胺
• 英文名称: N-(2-pyridin-4-yl-ethyl)-isonicotinamide
• 英文别名: N-[2-(pyridin-4-yl)ethyl]isonicotinamide；N-(2-(Pyridin-4-yl)ethyl)isonicotinamide；N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
• CAS: 681161-17-1
• 化学式: C₁₃H₁₃N₃O
• 分子量: 227.266
• InChiKey: QCAGNJVYIBZABD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  54.9
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  N-[2-(4-吡啶)乙基]-4-吡啶甲酰胺 以 氯仿 、 丙酮 为溶剂， 生成 ([Co(NCS)2(N-(2-pyridin-4-yl-ethyl)-isonicotinamide)2]*Me2CO)n
  参考文献：
  名称：

  A Contrivance for a Dynamic Porous Framework:  Cooperative Guest Adsorption Based on Square Grids Connected by Amide−Amide Hydrogen Bonds

  摘要：

  Flexible porous coordination polymers containing amide groups as a function origin have been synthesized and categorized as "Coordination Polymer with Amide Groups". Bispyridyl ligands with a spacer of amide group afford two-dimensional (2-D) motifs with a deformed square grid, resulting in three-dimensional (3-D) frameworks of [Co(NO3)(2)(3-pna)(2)](n) (1), [Co(Br)(2)(3-pna)(2)](n) (2), and {[Co(NCS)(2)(4-peia)2](.)4Me(2)CO}(n) (3 superset of 4Me(2)CO) (3-pna = N-3-pyridylnicotinamide, 4-peia = N-(2-pyridin-4-yl-ethyl)-isonicotinamide), where the 2-D motifs are bound by complementary hydrogen bond between the amide groups. In the case of the 3 superset of 4Me(2)CO, the amide groups form a contrivance for a dynamic porous framework because of their relevant position and orientation in the mutual nearest neighboring motifs. Consequently, 3 superset of 4Me(2)CO shows amorphous (nonporous)- to-crystal (porous) structural rearrangement in the Me2CO adsorption and desorption process, where the framework of the 2-D motif is maintained. The adsorption isotherm has threshold pressure (P-th), a sort of gate pressure. The heat of Me2CO adsorption (DeltaH(ad) = -25 kJ/mol) is obtained from the temperature dependence of threshold pressure (Pth), which is close to acetone vaporization enthalpy (DeltaH(vap) = 30.99 kJ/mol).

  DOI：

  10.1021/ja039914m
• 作为产物：
  描述：

  4-(2-氨基乙基)吡啶 、 氯化异氰盐酸盐 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以55%的产率得到N-[2-(4-吡啶)乙基]-4-吡啶甲酰胺
  参考文献：
  名称：

  A Contrivance for a Dynamic Porous Framework:  Cooperative Guest Adsorption Based on Square Grids Connected by Amide−Amide Hydrogen Bonds

  摘要：

  Flexible porous coordination polymers containing amide groups as a function origin have been synthesized and categorized as "Coordination Polymer with Amide Groups". Bispyridyl ligands with a spacer of amide group afford two-dimensional (2-D) motifs with a deformed square grid, resulting in three-dimensional (3-D) frameworks of [Co(NO3)(2)(3-pna)(2)](n) (1), [Co(Br)(2)(3-pna)(2)](n) (2), and {[Co(NCS)(2)(4-peia)2](.)4Me(2)CO}(n) (3 superset of 4Me(2)CO) (3-pna = N-3-pyridylnicotinamide, 4-peia = N-(2-pyridin-4-yl-ethyl)-isonicotinamide), where the 2-D motifs are bound by complementary hydrogen bond between the amide groups. In the case of the 3 superset of 4Me(2)CO, the amide groups form a contrivance for a dynamic porous framework because of their relevant position and orientation in the mutual nearest neighboring motifs. Consequently, 3 superset of 4Me(2)CO shows amorphous (nonporous)- to-crystal (porous) structural rearrangement in the Me2CO adsorption and desorption process, where the framework of the 2-D motif is maintained. The adsorption isotherm has threshold pressure (P-th), a sort of gate pressure. The heat of Me2CO adsorption (DeltaH(ad) = -25 kJ/mol) is obtained from the temperature dependence of threshold pressure (Pth), which is close to acetone vaporization enthalpy (DeltaH(vap) = 30.99 kJ/mol).

  DOI：

  10.1021/ja039914m

文献信息

• A Contrivance for a Dynamic Porous Framework:  Cooperative Guest Adsorption Based on Square Grids Connected by Amide−Amide Hydrogen Bonds
  作者：Kazuhiro Uemura、Susumu Kitagawa、Kôichi Fukui、Kazuya Saito

  DOI：10.1021/ja039914m

  日期：2004.3.1

  Flexible porous coordination polymers containing amide groups as a function origin have been synthesized and categorized as "Coordination Polymer with Amide Groups". Bispyridyl ligands with a spacer of amide group afford two-dimensional (2-D) motifs with a deformed square grid, resulting in three-dimensional (3-D) frameworks of [Co(NO3)(2)(3-pna)(2)](n) (1), [Co(Br)(2)(3-pna)(2)](n) (2), and [Co(NCS)(2)(4-peia)2](.)4Me(2)CO}(n) (3 superset of 4Me(2)CO) (3-pna = N-3-pyridylnicotinamide, 4-peia = N-(2-pyridin-4-yl-ethyl)-isonicotinamide), where the 2-D motifs are bound by complementary hydrogen bond between the amide groups. In the case of the 3 superset of 4Me(2)CO, the amide groups form a contrivance for a dynamic porous framework because of their relevant position and orientation in the mutual nearest neighboring motifs. Consequently, 3 superset of 4Me(2)CO shows amorphous (nonporous)- to-crystal (porous) structural rearrangement in the Me2CO adsorption and desorption process, where the framework of the 2-D motif is maintained. The adsorption isotherm has threshold pressure (P-th), a sort of gate pressure. The heat of Me2CO adsorption (DeltaH(ad) = -25 kJ/mol) is obtained from the temperature dependence of threshold pressure (Pth), which is close to acetone vaporization enthalpy (DeltaH(vap) = 30.99 kJ/mol).