85290-78-4 | Ethyl 5-methylpyrazole-4-carboxylate

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$13.00	$9.00
5g	97%	in stock	$22.00	$16.00
10g	97%	in stock	$39.00	$28.00
25g	97%	in stock	$84.00	$59.00

Description

• Catalog Number: AB73758
• Chemical Name: Ethyl 5-methylpyrazole-4-carboxylate
• CAS Number: 85290-78-4
• Molecular Formula: C7H10N2O2
• Molecular Weight: 154.1665
• MDL Number: MFCD00233457
• SMILES: CCOC(=O)c1c[nH]nc1C
• NSC Number: 19454

Computed Properties

• Complexity: 149
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 3
• XLogP3: 0.8

Upstream Synthesis Route

The 1H-Pyrazole-4-carboxylic acid, 3-methyl-, ethyl ester is a valuable building block in chemical synthesis due to its versatile reactivity and functional groups. It serves as a key intermediate in the preparation of various pharmaceutical compounds, agrochemicals, and materials with diverse applications.This compound can be utilized in the synthesis of heterocyclic compounds, which are important in the development of new drugs and bioactive molecules. It can also participate in the creation of complex organic molecules through reactions such as esterification, nucleophilic substitution, and cycloaddition reactions.Furthermore, the ethyl ester functionality of this compound can be selectively modified to introduce different groups, enabling the fine-tuning of physical and chemical properties of the final products. Its reactivity and compatibility with a wide range of synthetic methodologies make it a valuable tool for organic chemists in designing efficient routes for the synthesis of target molecules.