1057961-75-7 | tert-Butyl 4-bromo-3-fluorobenzoate

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$35.00	$24.00
1g	98%	in stock	$70.00	$49.00
5g	98%	in stock	$248.00	$174.00
10g	98%	in stock	$440.00	$308.00
25g	98%	in stock	$1,022.00	$716.00

Description

• Catalog Number: AE18509
• Chemical Name: tert-Butyl 4-bromo-3-fluorobenzoate
• CAS Number: 1057961-75-7
• Molecular Formula: C11H12BrFO2
• Molecular Weight: 275.1142
• MDL Number: MFCD08703424
• SMILES: O=C(c1ccc(c(c1)F)Br)OC(C)(C)C

Computed Properties

• Complexity: 237
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• XLogP3: 3.6

Upstream Synthesis Route

The tert-Butyl 4-bromo-3-fluorobenzoate is a versatile compound widely utilized in chemical synthesis for its unique properties. This compound serves as a valuable building block in organic chemistry reactions due to its electron-withdrawing fluorine and bromine substituents. One of the key applications of tert-Butyl 4-bromo-3-fluorobenzoate is in the preparation of pharmaceutical intermediates. With its easily modifiable tert-Butyl ester group and halogen functionalities, this compound can be efficiently transformed into various drug molecules through synthetic pathways such as nucleophilic substitution reactions. Furthermore, tert-Butyl 4-bromo-3-fluorobenzoate is often employed in the synthesis of complex molecules in agrochemical research. Its strategic placement of fluorine and bromine atoms enables controlled transformations that are essential for the development of new pesticides and herbicides. Overall, the application of tert-Butyl 4-bromo-3-fluorobenzoate in chemical synthesis showcases its significance in producing diverse organic compounds for pharmaceutical and agricultural advancements.