1179174-66-3 | 4-(3,4-Difluorophenyl)-2-fluorobenzoic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$201.00	$141.00
5g	98%	in stock	$572.00	$400.00
10g	98%	in stock	$945.00	$661.00
25g	98%	in stock	$1,878.00	$1,315.00

Description

• Catalog Number: AD35702
• Chemical Name: 4-(3,4-Difluorophenyl)-2-fluorobenzoic acid
• CAS Number: 1179174-66-3
• Molecular Formula: C13H7F3O2
• Molecular Weight: 252.18868959999998
• MDL Number: MFCD12859451
• SMILES: OC(=O)c1ccc(cc1F)c1ccc(c(c1)F)F

Computed Properties

• Complexity: 311
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 18
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 3.4

Upstream Synthesis Route

When it comes to chemical synthesis, the compound 3,3',4'-Trifluoro-[1,1'-biphenyl]-4-carboxylic acid plays a crucial role as a versatile building block. Its unique structure and functional groups make it a valuable intermediate in the creation of various organic compounds. Due to the presence of the trifluoromethyl group and the carboxylic acid moiety, this compound can participate in a wide range of reactions, such as nucleophilic substitution, transition metal-catalyzed cross-coupling, and Friedel-Crafts reactions.One key application of 3,3',4'-Trifluoro-[1,1'-biphenyl]-4-carboxylic acid in chemical synthesis is its use as a building block for the preparation of pharmaceutical compounds. By utilizing the trifluoromethyl group as a fluorine source, chemists can introduce fluorine atoms into drug molecules to enhance their biological activity and metabolic stability. The carboxylic acid group can also serve as a handle for further derivatization, allowing for the introduction of various functional groups to fine-tune the properties of the final compound. This compound's versatility and reactivity make it a valuable tool for medicinal chemists striving to develop new drugs with improved pharmacological profiles.