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| | 2-Pyrimidinecarboxylicacid,5-methyl-,methylester(6CI,9CI) Basic information | | Uses |
| Product Name: | 2-Pyrimidinecarboxylicacid,5-methyl-,methylester(6CI,9CI) | | Synonyms: | Methyl5-methylpyrimidine-2-carboxylate;5-Methyl-2-pyrimidinecarboxylic acid methyl ester;2-Pyrimidinecarboxylicacid,5-methyl-,methylester(6CI,9CI);2-PyriMidinecarboxylicacid,5-Methyl-,Methylester(6;2-Pyrimidinecarboxylicacid,5-methyl-,methylester(6CI,9CI) ISO 9001：2015 REACH;5-methylpyrimidine-2-carboxylic acidmethyl ester | | CAS: | 76196-80-0 | | MF: | C7H8N2O2 | | MW: | 152.15 | | EINECS: | | | Product Categories: | CARBOXYLICESTER;GLYCINESCAFFOLD | | Mol File: | 76196-80-0.mol |  |
| | 2-Pyrimidinecarboxylicacid,5-methyl-,methylester(6CI,9CI) Chemical Properties |
| Melting point | 99-101℃ | | Boiling point | 270℃ | | density | 1.169 | | Fp | 117℃ | | storage temp. | 2-8°C | | form | solid | | pka | -0.99±0.22(Predicted) | | Appearance | Light yellow to light brown Solid | | InChI | 1S/C7H8N2O2/c1-5-3-8-6(9-4-5)7(10)11-2/h3-4H,1-2H3 | | InChIKey | WBEDYPRLVFMBSD-UHFFFAOYSA-N | | SMILES | CC1=CN=C(C(OC)=O)N=C1 | | CAS DataBase Reference | 76196-80-0 |
| HS Code | 2933599590 | | Storage Class | 11 - Combustible Solids |
| | 2-Pyrimidinecarboxylicacid,5-methyl-,methylester(6CI,9CI) Usage And Synthesis |
| Uses | 5-Methyl-2-pyrimidinecarboxylic acid methyl ester can be used as a pharmaceutical synthesis intermediate. | | Synthesis | Synthesis of 2-Pyrimidinecarboxylicacid,5-methyl-,methylester(6CI,9CI): to a stirred solution of 2-chloro-5-methylpyrimidine (200 mg, 1.55 mmol) in MeOH:CH3CN (4:1, 10 mL) under argon atmosphere was added Pd(dppf)Cl2 (227 mg, 0.31 mmol) and triethylamine (0.45 mL, 3.11 mmol ) at room temperature; heated to 100 C and stirred in a steel bomb for 16 h under CO pressure. The reaction was monitored by TLC; after completion of the reaction, the reaction mixture was filtered through diatomaceous earth and the filtrate was concentrated in vacuum to give the crude product methyl 5-methyl-2-pyrimidinecarboxylate. The crude product was purified by silica gel column chromatography using 60% EtOAc/hexane as methyl 5-methyl-2-pyrimidinecarboxylate (146 mg, 62%) as a brick red solid. |
| | 2-Pyrimidinecarboxylicacid,5-methyl-,methylester(6CI,9CI) Preparation Products And Raw materials |
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