850012-44-1 | 4-Bromo-2-tert-butylaniline

Packsize	Purity	Availability	Price	Discounted Price
250mg	97%	in stock	$18.00	$12.00
500mg	97%	in stock	$20.00	$14.00
1g	97%	in stock	$28.00	$19.00
2g	97%	in stock	$55.00	$38.00

Description

• Catalog Number: AH56542
• Chemical Name: 4-Bromo-2-tert-butylaniline
• CAS Number: 850012-44-1
• Molecular Formula: C10H14BrN
• Molecular Weight: 228.1289
• MDL Number: MFCD09965991
• SMILES: Brc1ccc(c(c1)C(C)(C)C)N

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

4-Bromo-2-tert-butylaniline is a versatile compound that finds extensive applications in chemical synthesis. This compound serves as a valuable building block in the creation of various pharmaceuticals, agrochemicals, and materials. Its unique structure confers specific reactivity profiles that make it an important intermediate in the synthesis of complex organic molecules.In chemical synthesis, 4-Bromo-2-tert-butylaniline is commonly used in the preparation of diverse heterocyclic compounds, which are essential in drug discovery and development. The presence of the bromo group allows for selective functionalization at this position, enabling the introduction of various substituents to tailor the properties of the final product. Additionally, the tert-butyl and aniline moieties provide steric and electronic effects that influence the overall reactivity and stability of the intermediate compounds.Moreover, 4-Bromo-2-tert-butylaniline can participate in transition metal-catalyzed coupling reactions, such as Suzuki-Miyaura cross-coupling, Negishi coupling, and Buchwald-Hartwig amination, expanding its utility in synthetic chemistry. These transformations enable the construction of complex molecular frameworks with high efficiency and selectivity.Overall, the strategic incorporation of 4-Bromo-2-tert-butylaniline in chemical synthesis enables chemists to access a diverse array of compounds with potential applications in the pharmaceutical, agricultural, and materials industries.