methyl 1-methyl-1H-pyrazole-3-carboxylate

methyl 1-methyl-1H-pyrazole-3-carboxylate Basic information
Product Name:methyl 1-methyl-1H-pyrazole-3-carboxylate
Synonyms:methyl 1-methyl-1H-pyrazole-3-carboxylate;Methyl 1-Methylpyrazole-3-carboxylate;Methyl 1-methyl-1H-pyrazol-3-carboxylate
CAS:17827-61-1
MF:C6H8N2O2
MW:140.14
EINECS:
Product Categories:
Mol File:17827-61-1.mol
methyl 1-methyl-1H-pyrazole-3-carboxylate Structure
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)
InChIInChI=1S/C6H8N2O2/c1-8-4-3-5(7-8)6(9)10-2/h3-4H,1-2H3
InChIKeyWUUOFOYBXXQAGD-UHFFFAOYSA-N
SMILESN1(C)C=CC(C(OC)=O)=N1
CAS DataBase Reference17827-61-1
Safety Information
HS Code 2933199090
MSDS Information
methyl 1-methyl-1H-pyrazole-3-carboxylate Usage And Synthesis
UsesUsed as an intermediate in organic synthesis.
SynthesisA 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 synthesis
methyl 1-methyl-1H-pyrazole-3-carboxylate Preparation Products And Raw materials
Preparation Products1-Methyl-1H-pyrazole-3-carboxamide
1H-Pyrazole-3-carboxylicacid,1-methyl-,ethylester(9CI) Ethyl 4-Chloro-1-Methyl-1H-Pyrazole-3-Carboxylate 4-BROMO-1-METHYL-1 H-PYRAZOLE-3-CARBOXYLIC ACID M ETHYL ESTER methyl 1-methyl-1H-pyrazole-5-carboxylate ethyl 4-broMo-1-Methyl-1H-pyrazole-3-carboxylate

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