105285-21-0 | 4-tert-Butyl-1H-pyrazole

Packsize	Purity	Availability	Price	Discounted Price
50mg	97%	in stock	$20.00	$14.00
250mg	97%	in stock	$38.00	$27.00
1g	97%	in stock	$50.00	$35.00

Description

• Catalog Number: AE18669
• Chemical Name: 4-tert-Butyl-1H-pyrazole
• CAS Number: 105285-21-0
• Molecular Formula: C7H12N2
• Molecular Weight: 124.1836
• MDL Number: MFCD11847492
• SMILES: CC(c1c[nH]nc1)(C)C

Computed Properties

• Complexity: 93.6
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 9
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 2.7

Upstream Synthesis Route

4-(tert-Butyl)-1H-pyrazole is a versatile chemical compound that finds significant application in chemical synthesis due to its unique structure and reactivity. In organic chemistry, this compound serves as a valuable building block for the synthesis of various pharmaceuticals, agrochemicals, and other fine chemicals. Its molecular structure consists of a pyrazole ring substituted with a tert-butyl group, which imparts both sterically hindered and electron-donating properties to the molecule.One of the key applications of 4-(tert-Butyl)-1H-pyrazole is in the preparation of complex heterocyclic compounds. By leveraging its reactive nature, chemists can introduce additional functional groups to the pyrazole ring through various synthetic methodologies such as substitution reactions, metal-catalyzed transformations, and cycloaddition reactions. This enables the synthesis of diverse chemical entities with tailored properties and functionalities.Moreover, 4-(tert-Butyl)-1H-pyrazole serves as a valuable ligand in coordination chemistry, particularly in the field of organometallic catalysis. Its ability to chelate metal ions effectively can influence the catalytic activity and selectivity of metal complexes, making it a valuable tool for designing novel catalyst systems for organic transformations.Overall, the unique structural features and reactivity of 4-(tert-Butyl)-1H-pyrazole make it an indispensable component in the toolkit of synthetic chemists for designing and synthesizing complex molecules with precision and efficiency.