Benzenepropanoic acid,4-hydroxy-a-oxo- (156-39-8)

The IUPAC name of p-Hydroxyphenylpyruvic acid is 3-(4-hydroxyphenyl)-2-oxopropanoic acid. With the CAS registry number 156-39-8, it is also named as Benzenepropanoic acid, 4-hydroxy-alpha-oxo- (9CI); Testacide. The product's categories are miscellaneous and API intermediates. In addition, it is off-white to tan crystalline which is slightly soluble in water. And this chemical is stable under normal temperatures and pressures. When heated to decomposition it emits acrid smoke and fumes.

The other characteristics of this product can be summarized as:  (1)ACD/LogP: -0.61; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.592; (11)Molar Refractivity: 43.567 cm³; (12)Molar Volume: 128.757 cm³; (13)Polarizability: 17.271×10^-24 cm³; (14)Surface Tension: 65.223 dyne/cm; (15)Enthalpy of Vaporization: 62.837 kJ/mol; (16)Vapour Pressure: 0 mmHg at 25°C; (17)Rotatable Bond Count: 3; (18)Tautomer Count: 9; (19)Exact Mass: 180.042259; (20)MonoIsotopic Mass: 180.042259; (21)Topological Polar Surface Area: 74.6; (22)Heavy Atom Count: 13.

Uses of p-Hydroxyphenylpyruvic acid: It is an intermediate in the metabolism of phenylalanine. And it reacts with 3-hydrazino-5,6-diphenyl-[1,2,4]triazine to get 2-[(5,6-diphenyl-[1,2,4]triazin-3-yl)-hydrazono]-3-(4-hydroxy-phenyl)-propionic acid. This reaction needs solvent ethanol by heating. The reaction time is 30 min. The yield is 60%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES: OC(C(=O)C(O)=O)c1ccccc1;
2. InChI: InChI=1/C9H8O4/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7,10H,(H,12,13).