3972-64-3 | 1-Bromo-3-tert-butylbenzene

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$10.00	$7.00
5g	98%	in stock	$15.00	$11.00
10g	98%	in stock	$18.00	$13.00
25g	98%	in stock	$43.00	$30.00
100g	98%	in stock	$170.00	$119.00

Description

• Catalog Number: AB51129
• Chemical Name: 1-Bromo-3-tert-butylbenzene
• CAS Number: 3972-64-3
• Molecular Formula: C10H13Br
• Molecular Weight: 213.1142
• MDL Number: MFCD00234661
• SMILES: Brc1cccc(c1)C(C)(C)C
• NSC Number: 400305

Computed Properties

• Complexity: 123
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Rotatable Bond Count: 1
• XLogP3: 4.3

Upstream Synthesis Route

1-Bromo-3-tert-butylbenzene, also known as bromotertbutylbenzene, is a versatile compound widely used in chemical synthesis. This compound is commonly employed as a building block in organic chemistry reactions due to its unique molecular structure and reactivity.One of the key applications of 1-Bromo-3-tert-butylbenzene in chemical synthesis is its use as a halogenated aromatic compound for various substitution and coupling reactions. Its bromine functional group allows for selective bromination reactions, enabling the introduction of this specific functional group into complex molecules.Additionally, 1-Bromo-3-tert-butylbenzene serves as a valuable intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. Its tert-butyl group provides steric hindrance, influencing the regioselectivity and stereochemistry of subsequent reactions, making it a useful tool in the creation of chiral compounds.Furthermore, this compound can participate in transition metal-catalyzed cross-coupling reactions, such as Suzuki-Miyaura and Heck reactions, leading to the formation of biaryl compounds. These reactions are essential in the construction of organic molecules with intricate structures and functionalities.Overall, 1-Bromo-3-tert-butylbenzene plays a crucial role in modern organic synthesis as a versatile and valuable building block, enabling the efficient and selective construction of complex molecules with diverse applications.