(2R)-3-methyl-2-(pyridin-4-ylmethylamino)butanoic acid monohydrobromide | 1339132-66-9

• 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: (2R)-3-methyl-2-(pyridin-4-ylmethylamino)butanoic acid monohydrobromide
• 英文别名: N-(4-pyridylmethyl)-D-valine hydrobromide；N-(4-pyridylmethyl)-D-valine monobromide；N-(4-pyridylmethyl)-D-valine.HBr；(2R)-3-methyl-2-(pyridin-4-ylmethylamino)butanoic acid;hydrobromide
• CAS: 1339132-66-9
• 化学式: BrH*C₁₁H₁₆N₂O₂
• 分子量: 289.172
• InChiKey: UDTBUJCBLHBHIZ-HNCPQSOCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.86
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  62.2
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2R)-3-methyl-2-(pyridin-4-ylmethylamino)butanoic acid monohydrobromide 、 zinc(II) acetate dihydrate 以 水 为溶剂， 反应 0.17h， 以69%的产率得到[Zn(D-L1Br)(Br)](H2O)2
  参考文献：
  名称：

  WATER SOLUBLE METAL-ORGANIC FRAMEWORKS (MOFS)

  摘要：

  通过使用氨基酸衍生物和Zn(II)盐作为MOF构建单元，已经实现了一种高效、一步法的质子导电同手性金属有机框架的处理方法。通过合理设计配体结构，实现了对MOF溶解度和质子导电性的控制。这一发明将为工业应用中MOF薄膜的便捷制备铺平道路。

  公开号：

  US20140330020A1
• 作为产物：
  描述：

  在 sodium tetrahydroborate 、 氢溴酸 作用下， 以 甲醇 、 水 为溶剂， 反应 3.0h， 以3.6 g的产率得到(2R)-3-methyl-2-(pyridin-4-ylmethylamino)butanoic acid monohydrobromide
  参考文献：
  名称：

  Helical Water Chain Mediated Proton Conductivity in Homochiral Metal–Organic Frameworks with Unprecedented Zeolitic unh-Topology

  摘要：

  Four new homochiral metal-organic framework (MOF) isomers, [Zn(l-L-Cl)(Cl)](H2O)(2) (1), [Zn(l-L-Br)(Br)]-(H2O)(2) (2), [Zn(d-L-Cl)(Cl)(H2O)(2) (3), and [Zn(d-L-Br)-(Br)] (H2O)(2) (4) [L = 3-methyl-2-(pyridin-4-ylmethylamino)-butanoic acid], have been synthesized by using a derivative of L-/D-valine and Zn(CH3COO)(2)center dot 2H(2)O. A three-periodic lattice with a parallel ID helical channel was formed along the crystallographic c-axis. Molecular rearrangement results in an unprecedented zeolitic unh-toparigy in 1-4. In each case, two lattice water molecules (one H-bonded. to halogen atoms) form a secondary helical continuous water chain inside the molecular helix. MOFs 1 and 2 shows different water adsorption properties and hence different water affinity. The arrangement of water molecules inside the channel Was monitored by variable temperature single crystal X-ray diffraction, which indicated that MOF 1 has a higher water holding capacity than MOF 2. In MOF 1, water escapes. at 80 degrees C, while in T the same happens at a much lower temperature (similar to 40 degrees C). All the MOFs reported here shows reversible crystallization by readily reabsorbing moisture. In MOFs 1 and 2, the frameworks are stable after solvent removal, which is confirmed by a single-crystal to single crystal transformation. MOFs 1 and 3 show high proton conductivity of 4.45 x 10(-5) and 4.42 x 10(-5) S cm(-1), respectively, while 2 and 4 shows zero proton conductivity. The above result is attributed to the fact that MOF 1 has a higher water holding capacity than MOF 2.

  DOI：

  10.1021/ja2078637

文献信息

• US9290518B2
  申请人：——

  公开号：US9290518B2

  公开（公告）日：2016-03-22