6994-25-8 | Ethyl 3-amino-4-pyrazolecarboxylate

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$6.00	$4.00
5g	95%	in stock	$7.00	$5.00
10g	95%	in stock	$9.00	$6.00
25g	98%	in stock	$15.00	$10.00
100g	98%	in stock	$53.00	$37.00
500g	95%	in stock	$125.00	$87.00

Description

• Catalog Number: AB46060
• Chemical Name: Ethyl 3-amino-4-pyrazolecarboxylate
• CAS Number: 6994-25-8
• Molecular Formula: C6H9N3O2
• Molecular Weight: 155.1546
• MDL Number: MFCD00005238
• SMILES: CCOC(=O)c1c[nH]nc1N

Upstream Synthesis Route

The upstream synthesis of Ethyl 3-amino-4-pyrazolecarboxylate typically begins with the condensation of ethyl acetoacetate with hydrazine to form ethyl 3-aminopyrazole-4-carboxylate. Hydrazine acts as both the nitrogen source and the reducing agent in this transformation. The reaction involves the formation of an intermediate hydrazone, which upon cyclization under acidic conditions, affords the pyrazole ring.

The overall reaction can be described in the following steps:

1. Ethyl acetoacetate is treated with hydrazine hydrate in the presence of a mild acid catalyst, such as acetic acid. This leads to the formation of an intermediate hydrazone.

2. Subsequent cyclization under the acidic conditions leads to the formation of ethyl 3-aminopyrazole-4-carboxylate.

3. The ethyl 3-aminopyrazole-4-carboxylate can then be isolated and purified using standard organic purification techniques such as recrystallization or chromatography.

Any necessary protection of the amino group can be performed before or after the cyclization step, depending on the subsequent steps planned for the synthetic route and the stability of the protecting group under the reaction conditions.

Each reaction step needs to be optimized in terms of temperature, solvent, and reaction time to achieve the desired yield and purity of the final product.