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HomeProduct name listmethyl 1-methyl-1H-pyrazole-3-carboxylate

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

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

What is methyl 1-methyl-1H-pyrazole-3-carboxylate?

The Uses of methyl 1-methyl-1H-pyrazole-3-carboxylate

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 synthesis

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

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
CAS DataBase Reference 17827-61-1

Safety information for methyl 1-methyl-1H-pyrazole-3-carboxylate

Signal word Danger
Pictogram(s)
ghs
Flame
Flammables
GHS02
ghs
Corrosion
Corrosives
GHS05
GHS Hazard Statements H226:Flammable liquids
H314:Skin corrosion/irritation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233:Keep container tightly closed.
P240:Ground/bond container and receiving equipment.
P241:Use explosion-proof electrical/ventilating/lighting/…/equipment.
P242:Use only non-sparking tools.
P243:Take precautionary measures against static discharge.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P363:Wash contaminated clothing before reuse.
P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P370+P378:In case of fire: Use … for extinction.
P405:Store locked up.
P403+P235:Store in a well-ventilated place. Keep cool.

Computed Descriptors for methyl 1-methyl-1H-pyrazole-3-carboxylate

InChIKey WUUOFOYBXXQAGD-UHFFFAOYSA-N
SMILES N1(C)C=CC(C(OC)=O)=N1

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