103275-21-4 | 3-Bromo-4-(tert-butyl)aniline

Packsize	Purity	Availability	Price	Discounted Price
100mg	97%	in stock	$25.00	$18.00
250mg	97%	in stock	$37.00	$26.00
1g	97%	in stock	$46.00	$33.00
5g	97%	in stock	$198.00	$139.00

Description

• Catalog Number: AE28330
• Chemical Name: 3-Bromo-4-(tert-butyl)aniline
• CAS Number: 103275-21-4
• Molecular Formula: C10H14BrN
• Molecular Weight: 228.12886
• MDL Number: MFCD09966047
• SMILES: Nc1ccc(c(c1)Br)C(C)(C)C

Computed Properties

• Complexity: 150
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 3.6

Upstream Synthesis Route

3-Bromo-4-(tert-butyl)aniline is a versatile compound widely utilized in chemical synthesis due to its unique properties and reactivity. In organic chemistry, this compound serves as a valuable building block in the preparation of various organic molecules and pharmaceutical intermediates. Its substituted aniline structure provides a reactive site for further functionalization, allowing for the introduction of a wide range of different functional groups.One key application of 3-Bromo-4-(tert-butyl)aniline is in the synthesis of heterocyclic compounds, particularly in the formation of nitrogen-containing rings. By utilizing this compound as a starting material, chemists can access a diverse array of heterocycles with potentially valuable biological activities. Additionally, the bromine atom present in the molecule can serve as a handle for further manipulation through cross-coupling reactions or other transformations, enabling the synthesis of complex molecular architectures.Moreover, the tert-butyl group attached to the aniline moiety imparts steric hindrance, influencing the reactivity and selectivity of chemical reactions involving this compound. This steric effect can be strategically leveraged in the design of synthetic routes to control regioselectivity or improve the overall efficiency of the synthesis process. Overall, the strategic utilization of 3-Bromo-4-(tert-butyl)aniline in chemical synthesis allows for the preparation of diverse and functionalized organic compounds with potential applications in medicinal chemistry, material science, and other fields.