methyl 1-methyl-1H-pyrazole-3-carboxylate Chemical Properties

Boiling point:

108-110 °C(Press: 1 Torr)

Density 

1.18±0.1 g/cm3(Predicted)

storage temp. 

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

Safety Information

HS Code 

2933199090

methyl 1-methyl-1H-pyrazole-3-carboxylate Usage And Synthesis

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.

methyl 1-methyl-1H-pyrazole-3-carboxylate(17827-61-1)Related Product Information

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