phenylalaninium nitrate | 337527-60-3

• 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: phenylalaninium nitrate
• 英文别名: [PheH₂]NO₃；(2S)-2-amino-3-phenylpropanoic acid;nitric acid
• CAS: 337527-60-3
• 化学式: C₉H₁₁NO₂*HNO₃
• 分子量: 228.205
• InChiKey: AZEPORBEOPVRNY-QRPNPIFTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.29
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  129
• 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 在 硝酸 作用下， 以 水 为溶剂， 生成 phenylalaninium nitrate
  参考文献：
  名称：

  Structural characterization of α-amino acid complexes of molybdates: a spectroscopic and DFT study

  摘要：

  一项联合光谱和计算研究使我们能够确定在水介质中钼酸盐与α-氨基酸反应产物的双核结构核心。

  DOI：

  10.1039/c4ra14236e

文献信息

• Catalytic Biodiesel Production Mediated by Amino Acid-Based Protic Salts
  作者：Jingbo Li、Zheng Guo

  DOI：10.1002/cssc.201700026

  日期：2017.4.22

  Hetero‐ and homogeneous acid catalysts are effective catalysts for the production of biodiesel from oils containing high free fatty acids. The protic salts synthesized from natural amino acids were examined for catalytic activity and efficiency for the esterification of oleic acid after structural identification and characterization. In the esterification reaction of oleic acid with methanol, [Asp][NO3]

  杂酸和均相酸催化剂是从含高游离脂肪酸的油中生产生物柴油的有效催化剂。在结构鉴定和表征后，检查了从天然氨基酸合成的质子盐的催化活性和酯化油酸的效率。在油酸与甲醇的酯化反应中，[Asp] [NO 3 ]是最好的催化剂，其高活性与其高的哈米特酸度有关。油酸酯化以实现97％的生物柴油收率的最佳反应条件为：70°C，10％的催化剂负载量（w / w，以油酸计），甲醇/油酸比7.5：1和5 h。通常，[Asp] [NO 3]可能是油酸与链长最高达六的醇酯化的良好催化剂。由棕榈脂肪酸馏出物获得的生物柴油产率为93.86％，表明该催化剂具有工业应用潜力。动力学研究表明，该反应遵循伪一级动力学，其活化能和预指数分别为57.36 kJ mol -1和44.24×10 5  min -1。天冬氨酸衍生的质子盐是一种有前途的，操作简单，可持续，可再生且可能可生物降解的催化剂，可用于将游离脂肪酸转化为生物柴油。
• Preparation and use of cyclic and branched peptides and their labelled derivatives as therapeutic agents, cholecystokinin agonists or antagonists, and diagnostic agents to identify and locate tumours
  申请人：——

  公开号：US20040254339A1

  公开（公告）日：2004-12-16

  This patent application describes the preparation of cyclic and branched peptides of general formula (I) and their conjugated derivatives labelled with a paramagnetic or radioactive metal. The compounds of the present invention are used as diagnostic agents to identify and locate primary tumours and their metastases which over-express type A and/or B cholecystokinin receptors, and as therapeutic agents and cholecystokinin agonists or antagonists.

  本专利申请描述了通式（I）的环状和支链肽及其与顺磁性或放射性金属标记的共轭衍生物的制备方法。本发明的化合物可用作诊断药剂，用于识别和定位过度表达 A 型和/或 B 型胆囊收缩素受体的原发性肿瘤及其转移瘤，也可用作治疗药剂和胆囊收缩素激动剂或拮抗剂。
• Density functional theory studies on molecular structure and vibrational spectra of NLO crystal l-phenylalanine phenylalanium nitrate for THz application
  作者：M. Amalanathan、I. Hubert Joe、V.K. Rastogi

  DOI：10.1016/j.molstruc.2011.09.060

  日期：2011.12

  Molecular structure, FT-IR and Raman spectra of L-phenylalanine phenylalanium nitrate have been investigated using density functional theory calculation. The polarizability and hyperpolarizability value of the crystal is also calculated. Natural bond orbital analysis confirms the presence of intramolecular charge transfer and the hydrogen bonding interaction. Simultaneous activation of ring C-C stretching modes shows the non-centrosymmetric symmetry. Terahertz time-domain spectroscopy has been used to detect the absorption spectra in the frequency range from 0.05 to 1.3 THz. Theoretically predicted beta value exhibits the high nonlinear optical activity. (C) 2011 Elsevier B.V. All rights reserved.
• PREPARATION OF CHOLECYSTOKININ AGONISTS AND ANTAGONISTS AND THEIR THERAPEUTIC AND DIAGNOSTIC USE
  申请人：Bracco Imaging S.p.A.

  公开号：EP1390405A2

  公开（公告）日：2004-02-25
• SELECTIVE ALFAVBETA3 RECEPTOR PEPTIDE ANTAGONIST FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS
  申请人：Del Gatto, Annarita

  公开号：EP1934248A2

  公开（公告）日：2008-06-25