N-(4-pyridylmethyl)-L-valine hydrobromide | 1339132-62-5

• 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: N-(4-pyridylmethyl)-L-valine hydrobromide
• 英文别名: (2S)-3-methyl-2-(pyridin-4-ylmethylamino)butanoic acid monohydrobromide；N-(4-pyridylmethyl)-L-valine monobromide；N-(4-pyridylmethyl)-L-valine.HBr；(2S)-3-methyl-2-(pyridin-4-ylmethylamino)butanoic acid;hydrobromide
• CAS: 1339132-62-5
• 化学式: BrH*C₁₁H₁₆N₂O₂
• 分子量: 289.172
• InChiKey: UDTBUJCBLHBHIZ-PPHPATTJSA-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：

  N-(4-pyridylmethyl)-L-valine hydrobromide 、 zinc(II) acetate dihydrate 以 水 为溶剂， 反应 0.17h， 以67%的产率得到[Zn(L-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：

  4-吡啶甲醛 在 sodium tetrahydroborate 、 sodium carbonate 作用下， 以 甲醇 、 水 为溶剂， 反应 4.0h， 生成 N-(4-pyridylmethyl)-L-valine hydrobromide
  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

• WATER SOLUBLE METAL-ORGANIC FRAMEWORKS
  申请人：Council of Scientific and Industrial Research

  公开号：EP2763999B1

  公开（公告）日：2018-04-11
• US9290518B2
  申请人：——

  公开号：US9290518B2

  公开（公告）日：2016-03-22
• [EN] WATER SOLUBLE METAL-ORGANIC FRAMEWORKS (MOFS)<br/>[FR] SOLIDES POREUX CRISTALLISÉS (MOF) HYDROSOLUBLES
  申请人：COUNCIL SCIENT IND RES

  公开号：WO2013051035A2

  公开（公告）日：2013-04-11

  An efficient, one step solution state processing of Proton Conducting Homochiral Metal Organic Framework has been achieved by using derivate of amino acid and Zn(ll) salt as a MOF constructor. Control over MOF solubility as well as proton conductivity has also been achieved 5by judicious of the ligand architecture. This invention will lead the way for ease preparation of MOF films for industrial application.
• WATER SOLUBLE METAL-ORGANIC FRAMEWORKS (MOFS)
  申请人：Banerjee Rahul

  公开号：US20140330020A1

  公开（公告）日：2014-11-06

  An efficient, one step solution state processing of Proton Conducting Homochiral Metal Organic Framework has been achieved by using derivate of amino acid and Zn(II) salt as a MOF constructor. Control over MOF solubility as well as proton conductivity has also been achieved by judicious of the ligand architecture. This invention will lead the way for ease preparation of MOF films for industrial application.

  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。
• Helical Water Chain Mediated Proton Conductivity in Homochiral Metal–Organic Frameworks with Unprecedented Zeolitic <i>unh</i>-Topology
  作者：Subash Chandra Sahoo、Tanay Kundu、Rahul Banerjee

  DOI：10.1021/ja2078637

  日期：2011.11.9

  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.