2-(2-Bromo-3,6-difluorophenyl)acetic acid

Name: 2-(2-Bromo-3,6-difluorophenyl)acetic acid
Brand: ChemScene
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CAS No. 1805537-77-2
Cat. No. CS-0227109
Molecule weight251.02
Purity≥98%
MDL No.None

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2-(2-Bromo-3,6-difluorophenyl)acetic acid|CS-0227109

Structure of 1805537-77-2

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General Information

CAS No. 1805537-77-2
Cat. No. CS-0227109
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₅BrF₂O₂
Molecular Weight 251.02
Synonym(s) None
SMILES O=C(O)CC1=C(F)C=CC(F)=C1Br

Description

This brominated difluorophenylacetic acid features a sterically accessible carboxylic acid handle flanked by electron-deficient aryl substituents, enabling direct coupling in late-stage functionalization. The ortho-bromo and para-difluoro groups facilitate transition-metal-catalyzed cross-coupling reactions under standard conditions.

Application

2-(2-Bromo-3,6-difluorophenyl)acetic acid serves as a versatile building block for pharmaceutical intermediates, enabling efficient late-stage functionalization via its bromo and carboxylic acid functionalities. The difluorinated aryl moiety enhances metabolic stability and modulates electronic properties, while the acetic acid side chain facilitates derivatization through amide formation or esterification. Bench-stable and compatible with standard coupling protocols, it functions reliably in Suzuki-Miyaura and Stille reactions, supporting scalable synthesis of bioactive heterocycles and API candidates.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 37.3
LogP 2.3544
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-(2-Bromo-3,6-difluorophenyl)acetic acid

CAS No. 1805537-77-2

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