1017782-45-4 | Methyl 3-(tert-butyl)-1h-pyrazole-4-carboxylate

Packsize	Purity	Availability	Price	Discounted Price
250mg	97%	in stock	$114.00	$80.00
1g	97%	in stock	$155.00	$108.00
5g	97%	in stock	$527.00	$369.00
10g	97%	in stock	$946.00	$662.00
25g	97%	in stock	$1,879.00	$1,316.00

Description

• Catalog Number: AA06986
• Chemical Name: Methyl 3-(tert-butyl)-1h-pyrazole-4-carboxylate
• CAS Number: 1017782-45-4
• Molecular Formula: C9H14N2O2
• Molecular Weight: 182.2197
• MDL Number: MFCD00829900
• SMILES: COC(=O)c1c[nH]nc1C(C)(C)C

Computed Properties

• Complexity: 198
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 3
• XLogP3: 1.8

Upstream Synthesis Route

Methyl 3-(tert-butyl)-1H-pyrazole-4-carboxylate is a versatile compound widely utilized in chemical synthesis for the creation of organic molecules with specific properties. Its unique structure, featuring a pyrazole ring and a tert-butyl group, makes it a valuable building block in the formation of various pharmaceuticals, agrochemicals, and materials.In chemical synthesis, Methyl 3-(tert-butyl)-1H-pyrazole-4-carboxylate serves as a key intermediate for the synthesis of heterocyclic compounds, which are essential in drug discovery and development. It can undergo various reactions such as esterification, hydrogenation, and substitution reactions to introduce functional groups at precise positions on the pyrazole ring, allowing for the synthesis of complex molecular scaffolds with tailored properties.Furthermore, Methyl 3-(tert-butyl)-1H-pyrazole-4-carboxylate is often employed in the construction of bioactive molecules due to its ability to modulate biological activities. By incorporating this compound into the chemical structure of targeted compounds, researchers can fine-tune the pharmacological properties of the resulting products, enhancing their efficacy and specificity.Overall, the application of Methyl 3-(tert-butyl)-1H-pyrazole-4-carboxylate in chemical synthesis enables the efficient and precise assembly of diverse organic molecules with potential applications in the fields of medicine, agriculture, and materials science.