Thymine-1-acetic acid

The 1(2H)-Pyrimidineaceticacid, 3,4-dihydro-5-methyl-2,4-dioxo- with CAS registry number of 20924-05-4 is also known as 2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid. The IUPAC name is 2-(5-Methyl-2,4-dioxopyrimidin-1-yl)acetic acid. It belongs to product categories of Building Blocks; Heterocyclic Building Blocks; Pyrimidines. In addition, the formula is C₇H₈N₂O₄ and the molecular weight is 184.15.

Physical properties about 1(2H)-Pyrimidineaceticacid, 3,4-dihydro-5-methyl-2,4-dioxo- are: (1)ACD/LogP: -0.80; (2)ACD/LogD (pH 5.5): -2.61; (3)ACD/LogD (pH 7.4): -4.23; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.54; (12)Molar Refractivity: 40.82 cm³; (13)Molar Volume: 130 cm³; (14)Surface Tension: 53.5 dyne/cm; (15)Density: 1.416 g/cm³; (16)Flash Point: 210.5 °C; (17)Enthalpy of Vaporization: 78.4 kJ/mol; (18)Boiling Point: 424.4 °C at 760 mmHg; (19)Vapour Pressure: 5.57E-09 mmHg at 25 °C.

Preparation of 1(2H)-Pyrimidineaceticacid, 3,4-dihydro-5-methyl-2,4-dioxo-: it is prepared by reaction of bromoacetic acid with 5-methyl-1H-pyrimidine-2,4-dione. The reaction needs reagent KOH and solvent H₂O at the temperature of 40 °C. The yield is about 80%.

Uses of 1(2H)-Pyrimidineaceticacid, 3,4-dihydro-5-methyl-2,4-dioxo-: it is used to produce (5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetic acid pentafluorophenyl ester by reaction with pentafluorophenol. The reaction occurs with reagent DCC and solvent dimethylformamide for 3 hours.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC1=CN(C(=O)NC1=O)CC(=O)O
2. InChI: InChI=1S/C7H8N2O4/c1-4-2-9(3-5(10)11)7(13)8-6(4)12/h2H,3H2,1H3,(H,10,11)(H,8,12,13)
3. InChIKey: TZDMCKHDYUDRMB-UHFFFAOYSA-N