| Identification | Back Directory | [Name]
methyl 1-methyl-1H-pyrazole-3-carboxylate | [CAS]
17827-61-1 | [Synonyms]
Methyl 1-Methylpyrazole-3-carboxylate
methyl 1-methyl-1H-pyrazole-3-carboxylate | [Molecular Formula]
C6H8N2O2 | [MDL Number]
MFCD04967358 | [MOL File]
17827-61-1.mol | [Molecular Weight]
140 |
| Chemical Properties | Back Directory | [Boiling point ]
108-110 °C(Press: 1 Torr) | [density ]
1.18±0.1 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,2-8°C | [pka]
-0.17±0.10(Predicted) | [InChI]
InChI=1S/C6H8N2O2/c1-8-4-3-5(7-8)6(9)10-2/h3-4H,1-2H3 | [InChIKey]
WUUOFOYBXXQAGD-UHFFFAOYSA-N | [SMILES]
N1(C)C=CC(C(OC)=O)=N1 | [CAS DataBase Reference]
17827-61-1 |
| Hazard Information | Back Directory | [Uses]
Used as an intermediate in organic synthesis. | [Synthesis]
A mixture of 2.11 g of pyrazole-3-carboxylic acid (V), 50 ml of methanol, and 0.5 ml of POCl3 was refluxed for 12 h. After cooling the reaction mixture was concentrated. The resulting crystals were washed with 20% sodium carbonate solution, dried at 55°C (1 mm Hg), and recrystallized from benzene. Methyl 1-methylpyrazole-3-carboxylate (VIII) was obtained similarly from 6.12 g of 1-methyl-3-pyrazole carboxylic acid VI, 50 ml of methanol and 0.5 ml of POCl3 . Yield 10.2 g (72.8%). bp 125°C (1 mm Hg). IR spectrum, ν, cm -1: 1520 (ring), 1730 (C═O). 1H NMR spectrum, δ, ppm (J, Hz): 3.77 s (3H, NCH3), 3.85 s (3H, OCH3), 6.68 d (1H, 4-H, J2.2), 7.1 br. s (1H, 5H). Found, %: C 51.63; H 5.85; N 20.28. C6H8N2O2. Calculated, %: C 51.42; H 5.71; N 20.00.
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