Methyl 2-(4-bromo-3-fluorophenyl)acetate

Name: Methyl 2-(4-bromo-3-fluorophenyl)acetate
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CAS No. 942282-41-9
Cat. No. CS-0061878
Purity≥98%
MDL No.None

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Methyl 2-(4-bromo-3-fluorophenyl)acetate|CS-0061878

Structure of 942282-41-9

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General Information

CAS No. 942282-41-9
Cat. No. CS-0061878
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₈BrFO₂
Molecular Weight 247.06
Synonym(s) Methyl (4-bromo-3-fluorophenyl)acetate
SMILES COC(=O)CC1=CC(=C(C=C1)Br)F

Description

Methyl 2-(4-bromo-3-fluorophenyl)acetate features a bromo- and fluoro-substituted phenyl ring that imparts enhanced electron-withdrawing character, enabling efficient coupling in cross-coupling reactions. The ester functionality provides a handle for selective derivatization, while the molecule exhibits stability under standard bench conditions and compatibility with transition metal catalysis.

Application

Methyl 2-(4-bromo-3-fluorophenyl)acetate serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its bromo substituent. The fluorine ortho to the acetyl group enhances metabolic stability and modulates electronic properties. Its bench-stable nature and compatibility with standard purification methods facilitate efficient incorporation into complex heterocyclic scaffolds and API intermediates.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 26.3
LogP 2.3037
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 2-(4-bromo-3-fluorophenyl)acetate

CAS No. 942282-41-9

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