L-phenylalaninium maleate | 369383-56-2

• 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: L-phenylalaninium maleate
• 英文别名: (2S)-2-amino-3-phenylpropanoic acid;(Z)-but-2-enedioic acid
• CAS: 369383-56-2
• 化学式: C₄H₄O₄*C₉H₁₁NO₂
• 分子量: 281.265
• InChiKey: UMXQJBMCHQVLQU-KZDSSNOQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.7
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  142
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  L-苯丙氨酸 、 顺丁烯二酸 反应 0.25h， 生成 L-phenylalaninium maleate
  参考文献：
  名称：

  由马来酸和 L-苯丙氨酸组成的双组分晶体的第一和第二解离焓

  摘要：

  A:B 2双组分晶体逐步解离的能量学，根据 A:B 2 (cr) → A:B(cr) + B(cr) 和 A:B(cr) → A(cr) + B(cr)，使用 MA:Phe 2和 MA:Phe（MA = 马来酸；Phe = L-苯丙氨酸）作为模型系统进行研究。与这些连续过程和总解离反应 A:B 2 (cr) → A(cr) + 2B(cr)相关的焓变通过溶液量热法测定。发现它们都是正的，表明当 MA:Phe 2形成时存在晶格焓增益，无论是从单个前体还是通过将 Phe 添加到 MA:Phe。单晶 X 射线衍射 (SCXRD) 分析表明 MA:Phe 2最好描述为含有马来酸阴离子 (MA - ) 和两个非等价 L-苯丙氨酸单元的质子盐，两者均通过 NH…O 氢键（H 键）与 MA -连接：这些单元之一被质子化(HPhe + ) 和另一个两性离子 (Phe ± )。MA:Phe 晶格中仅存在 MA

  DOI：

  10.3390/molecules26185714

文献信息

• Growth and physicochemical properties of l-phenylalaninium maleate: A novel nonlinear optical crystal
  作者：F. Yogam、I. Vetha Potheher、M. Vimalan、R. Jeyasekaran、T. Rajesh Kumar、P. Sagayaraj

  DOI：10.1016/j.saa.2012.03.088

  日期：2012.9

  Single crystals of novel organic nonlinear optical material, t-phenylalaninium maleate (LPM) having dimensions up to 10 x 6 x 6 mm(3) were grown by slow evaporation solution growth technique at room temperature. The grown crystals were confirmed by single crystal X-ray diffraction studies and the various functional groups were identified by FT-IR spectroscopic analysis. The optical properties were studied by optical absorption, second harmonic generation (SHG), photoconductivity and photoluminescence (PL) studies and reported for the first time. The optical band gap energy and SHG efficiency were found to be 4.85 eV and 1.5 times higher than KDP crystals. Negative photoconducting nature was confirmed by photoconductivity studies. Photoluminescence studies confirm the suitability of the sample for blue and green radiations. The title compound was also subjected to TG/DTA analysis and dielectric studies. Layer like growth pattern was analyzed by SEM micrograph. (C) 2012 Elsevier B.V. All rights reserved.