5-CARBETHOXYURACIL

The Ethyl 1,2,3,4-tetrahydro-2,4-dioxopyrimidine-5-carboxylate is an organic compound with the formula C₇H₈N₂O₄. The IUPAC name of this chemical is ethyl 2,4-dioxo-1H-pyrimidine-5-carboxylate. With the CAS registry number 28485-17-8 and EINECS 249-053-3, it is also named as Ethyl uracil-5-carboxylate. The product's categories are Acids and Derivatives; Heterocycles. It is white crystalline powder which is stable under normal temeprature and pressure. But people should not breathe dust and avoid contact with skin and eyes. Additionally, this chemical should be sealed in the container and stored in the cool and dry place. And people should ensure that the workplace has well-ventilated equipment

The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.65; (4)ACD/LogD (pH 7.4): -1.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10.38; (8)ACD/KOC (pH 7.4): 2.67; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 66.92 Å²; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 40.58 cm³; (15)Molar Volume: 136.9 cm³; (16)Polarizability: 16.09×10^-24 cm³; (17)Surface Tension: 46.2 dyne/cm; (18)Density: 1.344 g/cm³; (19)Flash Point: 194.5 °C; (20)Enthalpy of Vaporization: 67.38 kJ/mol; (21)Boiling Point: 398 °C at 760 mmHg; (22)Vapour Pressure: 6.66E-07 mmHg at 25°C.

Preparation of Ethyl 1,2,3,4-tetrahydro-2,4-dioxopyrimidine-5-carboxylate: It can be obtained by ureidomethylene-malonic acid diethyl ester. This reaction needs reagent NaOMe and solvent methanol by heating. The reaction time is 10 min. The yield is 74%.

Uses of Ethyl 1,2,3,4-tetrahydro-2,4-dioxopyrimidine-5-carboxylate: It can react with acetic acid to get 4-acetoxy-5-fluoro-2,6-dioxo-hexahydro-pyrimidine-5-carboxylic acid ethyl ester. This reaction needs reagent F₂. The yield is 72%.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=C1C(\C(=O)OCC)=C/NC(=O)N1
2. InChI:InChI=1/C7H8N2O4/c1-2-13-6(11)4-3-8-7(12)9-5(4)10/h3H,2H2,1H3,(H2,8,9,10,12)
3. InChIKey:MKNYHTGOVKPZMU-UHFFFAOYAT