55864-87-4 | Ethyl 4-nitro-1H-pyrazole-3-carboxylate

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$9.00	$6.00
1g	95%	in stock	$21.00	$15.00
5g	95%	in stock	$53.00	$37.00
25g	95%	in stock	$240.00	$168.00

Description

• Catalog Number: AG26755
• Chemical Name: Ethyl 4-nitro-1H-pyrazole-3-carboxylate
• CAS Number: 55864-87-4
• Molecular Formula: C6H7N3O4
• Molecular Weight: 185.1375
• MDL Number: MFCD00195040
• SMILES: [O-][N+](=O)c1cn[nH]c1C(=O)OCC

Upstream Synthesis Route

To synthesize Ethyl 4-nitro-1H-pyrazole-3-carboxylate, the upstream synthesis route commonly involves a multi-step process starting from basic organic precursors.

1. Synthesis of Pyrazole Ring:
a. Start with a 1,3-dicarbonyl compound such as ethyl acetoacetate.
b. React it with hydrazine (NH2NH2) to form the pyrazole ring, yielding ethyl 3-pyrazolecarboxylate via a cyclization reaction.

2. Nitration:
a. Use a nitrating agent such as a mixture of nitric acid and sulfuric acid (mixed acid nitration) to introduce the nitro group at the 4-position of the pyrazole ring.
b. This step must be controlled rigorously to avoid over-nitration and to direct the nitro group to the correct position on the ring.

3. Purification:
a. After nitration, the product is typically purified through crystallization or column chromatography to obtain the final pure Ethyl 4-nitro-1H-pyrazole-3-carboxylate.

Throughout the process, reaction conditions such as temperature, time, stoichiometry, and solvent choice are critically monitored to optimize yield and purity. Safety measures are also critically applied due to the potential hazards of the reagents and reaction conditions involved.