Introduction：Basic information about 4,6-Dihydroxy-2-methylpyrimidine CAS 40497-30-1, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
4,6-Dihydroxy-2-methylpyrimidine Basic information
| Product Name: | 4,6-Dihydroxy-2-methylpyrimidine |
| Synonyms: | 2-METHYL-PYRIMIDINE-4,6-DIOL;2-METHYL-4,6-DIHYDROXY PYRIMIDINE;2-METHYL-4,6-PYRIMIDINEDIOL;2-Methyl-4,6-pyrimidinedione;2-methyl-1H,5H-pyrimidine-4,5-dione;4,6-dihydroxyl-2-methylpyrimidine;4,6(1H,5H)-Pyrimidinedione, 2-methyl- (9CI);2-Methyl-4,6-dihydroxypyrimidi |
| CAS: | 40497-30-1 |
| MF: | C5H6N2O2 |
| MW: | 126.11 |
| EINECS: | 254-941-9 |
| Product Categories: | PYRIMIDINE;APIs & Intermediate;Pyridines, Pyrimidines, Purines and Pteredines;Pyrimidines;Building Blocks;C4 to C5;Chemical Synthesis;Heterocyclic Building Blocks;40497-30-1 |
| Mol File: | 40497-30-1.mol |
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4,6-Dihydroxy-2-methylpyrimidine Chemical Properties
| Melting point | >300 °C (lit.) |
| Boiling point | 234.21°C (rough estimate) |
| density | 1.3541 (rough estimate) |
| refractive index | 1.5090 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Soluble in sodium hydroxide. |
| form | powder to crystal |
| pka | 9.42±0.20(Predicted) |
| color | White to Light yellow to Light orange |
| BRN | 115646 |
| InChI | InChI=1S/C5H6N2O2/c1-3-6-4(8)2-5(9)7-3/h2H2,1H3,(H,6,7,8,9) |
| InChIKey | GNVCKXIBBIIFPE-UHFFFAOYSA-N |
| SMILES | C1(C)NC(=O)CC(=O)N=1 |
| CAS DataBase Reference | 40497-30-1(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| RIDADR | 1759 |
| WGK Germany | 3 |
| HazardClass | 8 |
| PackingGroup | II |
| HS Code | 29335995 |
| Storage Class | 13 - Non Combustible Solids |
4,6-Dihydroxy-2-methylpyrimidine Usage And Synthesis
| Chemical Properties | white to light beige amorphous powder |
| Uses | 4,6-Dihydroxy-2-methylpyrimidine is used in the preparation of 4,6-dichloro-2-methyl-pyrimidine. |
| Synthesis | 4,6-Dihydroxy-2-methylpyrimidine was prepared as follows: in a reaction flask equipped with a mechanical stirrer, a reflux condenser, a thermometer and a dropping funnel, 200 ml of isopropanol was put into the reaction flask, 27 g (0.5 mol) of sodium methanol were poured in and heated at 40-50??C until completely dissolved, then 20 ml (0.125 mol) of malonate were added and mixed for 10-15 minutes, then 22 g (0.373 mole) of acetamide was added in batches under vigorous stirring. The reaction material was rapidly heated to boiling and boiled for 4 h. The solvent was then evaporated and 100 ml of water was added to the residue at 50-60??C. The precipitate was completely dissolved. The resulting salt solution is acidified with glacial acetic acid at 50??60??C to a pH of 5-6, slowly cooled and settled at a temperature of 18-25??C for 10 hours. The precipitated product is filtered out and washed with water (3 x 30 ml), alcohol (2 x 20 ml). 9.9 g (62.9% of the theoretical value) of 4,6-dihydroxy-2-methylpyrimidine was obtained with 95% basic substance content. |
4,6-Dihydroxy-2-methylpyrimidine Preparation Products And Raw materials
| Raw materials | 1,1-diamino-2,2-dinitroethene-->Diethyl malonate-->Acetamidine hydrochloride |
| Preparation Products | 5-Amino-4,6-dichloro-2-methylpyrimidine-->4,6-Dichloro-2-methyl-5-nitropyrimidine-->2-METHYL-5-NITRO-PYRIMIDINE-4,6-DIOL-->4-Pyrimidinamine, 2-methyl- (9CI)-->4-Amino-6-chloro-2-methylpyrimidine |
