2-((pyridin-4-yl)methylamino)-4-methylpentanoic acid hydrobromide | 1394816-64-8

• 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: 2-((pyridin-4-yl)methylamino)-4-methylpentanoic acid hydrobromide
• CAS: 1394816-64-8
• 化学式: BrH*C₁₂H₁₈N₂O₂
• 分子量: 303.199
• InChiKey: UMLIGCUYELTQHC-MERQFXBCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.25
• 重原子数：
  17.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  62.22
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-((pyridin-4-yl)methylamino)-4-methylpentanoic acid hydrobromide 、 cadmium(II) acetate dihydrate 以 水 为溶剂， 反应 0.17h， 以60%的产率得到
  参考文献：
  名称：

  Variable Water Adsorption in Amino Acid Derivative Based Homochiral Metal Organic Frameworks

  摘要：

  Six new Cd-containing homochiral metal organic framework materials [{Cd(L1)(C1)}(H2O)](infinity), (1a), [Cd(L1)(Br)](infinity) (1b), [Cd(L2)(Cl)](H2O)](infinity), (2a), [{Cd-2(L2)(2)(Br)(2)}(H2O)(3)](infinity), (2b) [{Cd(L3)(Cl)}(H2O)(2)](infinity) (3a), and [(Cd(L3)(Br)}(H2O)(2)](infinity) (3b) [L1 = 24(PYridin-4-yl)methylamino)-4-methylpentanoic acid], [L2 = 2-(pyridin-4-yl)methylamino)-3-hydroxypropanoic acid], and [L3 = 2((pyridin-4-yl)methylamino)-3-hydroxybutanoic acid] have been synthesized using pyridine functionalized amino acid (L-leucine, L-serine, and L-threonine) homochiral links and Cd(CH3COO)(2)center dot 2H(2)O and characterized via single crystal Xray diffraction (XRD), powder X-ray diffraction (PXRD), variable temperature powder X-ray diffraction (VTPXRD), thermogravimetric analysis and water adsorption experiments. Side chains in different amino acid derivatives and anions (Cl-, Br-) have been identified to play an important role in structural diversity (from porous to nonporous) as well as physical properties. These metal organic frameworks (MOFs) exhibit a distinct water adsorption nature and capacity, e.g., high adsorption at low partial pressure based on architectural diversities.

  DOI：

  10.1021/cg3008443
• 作为产物：
  描述：

  4-吡啶甲醛 、 L-亮氨酸 在 sodium carbonate 、 sodium tetrahydroborate 、 氢溴酸 作用下， 以 甲醇 、 水 为溶剂， 反应 4.0h， 以66%的产率得到2-((pyridin-4-yl)methylamino)-4-methylpentanoic acid hydrobromide
  参考文献：
  名称：

  Variable Water Adsorption in Amino Acid Derivative Based Homochiral Metal Organic Frameworks

  摘要：

  Six new Cd-containing homochiral metal organic framework materials [{Cd(L1)(C1)}(H2O)](infinity), (1a), [Cd(L1)(Br)](infinity) (1b), [Cd(L2)(Cl)](H2O)](infinity), (2a), [{Cd-2(L2)(2)(Br)(2)}(H2O)(3)](infinity), (2b) [{Cd(L3)(Cl)}(H2O)(2)](infinity) (3a), and [(Cd(L3)(Br)}(H2O)(2)](infinity) (3b) [L1 = 24(PYridin-4-yl)methylamino)-4-methylpentanoic acid], [L2 = 2-(pyridin-4-yl)methylamino)-3-hydroxypropanoic acid], and [L3 = 2((pyridin-4-yl)methylamino)-3-hydroxybutanoic acid] have been synthesized using pyridine functionalized amino acid (L-leucine, L-serine, and L-threonine) homochiral links and Cd(CH3COO)(2)center dot 2H(2)O and characterized via single crystal Xray diffraction (XRD), powder X-ray diffraction (PXRD), variable temperature powder X-ray diffraction (VTPXRD), thermogravimetric analysis and water adsorption experiments. Side chains in different amino acid derivatives and anions (Cl-, Br-) have been identified to play an important role in structural diversity (from porous to nonporous) as well as physical properties. These metal organic frameworks (MOFs) exhibit a distinct water adsorption nature and capacity, e.g., high adsorption at low partial pressure based on architectural diversities.

  DOI：

  10.1021/cg3008443