通过紫外光谱、红外光谱、质谱和核磁共振氢谱对苯丙酮酸和β-苄基苯丙酮酸进行表征

[Characterization of phenylpyruvic acid and beta-benzyl phenylpyruvic acid by UV, IR, MS, and 1H NMR].

作者信息

Li Guang-xing, Li Lin

机构信息

Department of Chemistry, Huazhong University of Science and Technology, Wuhan 430074, China.

出版信息

Guang Pu Xue Yu Guang Pu Fen Xi. 2003 Feb;23(1):123-6.

PMID:12939986

Abstract

Characterization of phenylpyruvic acid (PPA) and beta-benzyl phenylpyruvic acid (BPPA) by UV, IR, MS and 1H NMR has been carried out. It is found that the absorption at 240 and 365 nm are observed in the UV spectrum of PPA and the absorption at 210 nm is the only one in BPPA. These demonstrate that PPA has the olefinic alcohol structure and BPPA hasn't. The IR absorption at 1,624.38 and 1,697.25 cm-1 of PPA are originated from two carboxy C=O because of its gem-diol structure, and the absorption at 1,706.6 and 1,728.6 cm-1 in BPPA is assignable to keto C=O and carboxy C=O, respectively. The main peaks in the MS spectrum of PPA are 164, 119, 91, 65, 45, 39, and BPPA 254, 236, 209, 181, 91, 77, 65, 39. The peaks at 4.124, 6.381, 7.184-7.748, 9.268 are observed in the 1H NMR spectrum of PPA and the peaks in BPPA are 2.90-3.02, 3.29-3.40, 4.73-4.81, 7.04-7.44, 8.99.

摘要

已通过紫外光谱（UV）、红外光谱（IR）、质谱（MS）和核磁共振氢谱（¹H NMR）对苯丙酮酸（PPA）和β-苄基苯丙酮酸（BPPA）进行了表征。结果发现，PPA的紫外光谱在240和365 nm处有吸收，而BPPA的紫外光谱仅在210 nm处有吸收。这些表明PPA具有烯醇结构，而BPPA没有。PPA在1624.38和1697.25 cm⁻¹处的红外吸收源于其偕二醇结构中的两个羧基C=O，而BPPA在1706.6和1728.6 cm⁻¹处的吸收分别归属于酮基C=O和羧基C=O。PPA质谱图中的主要峰为164、119、91、65、45、39，BPPA质谱图中的主要峰为254、236、209、181、91、77、65、39。PPA的核磁共振氢谱中在4.124、6.381、7.184 - 7.748、9.268处观察到峰，BPPA的核磁共振氢谱中的峰为2.90 - 3.02、3.29 - 3.40、4.73 - 4.81、7.04 - 7.44、8.99。