Methyl 4-bromo-3-fluoro-2-methylbenzoate

Name: Methyl 4-bromo-3-fluoro-2-methylbenzoate
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CAS No. 1365969-22-7
Cat. No. CS-0120459
Purity≥97%
MDL No.MFCD21602051

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FedEx Limited Quantities Ground	$0.00
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Methyl 4-bromo-3-fluoro-2-methylbenzoate|CS-0120459

Structure of 1365969-22-7

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General Information

CAS No. 1365969-22-7
Cat. No. CS-0120459
Purity ≥97%
MDL No. MFCD21602051
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₈BrFO₂
Molecular Weight 247.06
Synonym(s) None
SMILES O=C(OC)C1=CC=C(Br)C(F)=C1C

Description

Methyl 4-bromo-3-fluoro-2-methylbenzoate features a trifunctional aromatic core with strategically positioned halogens and a methyl group, enabling selective coupling reactions. The electron-deficient ring facilitates nucleophilic substitution, while the ester handle supports downstream derivatization. This bench-stable reagent integrates readily into complex molecule synthesis under standard conditions.

Application

Methyl 4-bromo-3-fluoro-2-methylbenzoate serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient late-stage functionalization via palladium-catalyzed cross-coupling reactions. The ortho-methyl group enhances metabolic stability, while the bromo and fluoro substituents provide complementary sites for selective transformations. Its bench-stable nature and compatibility with standard coupling protocols facilitate streamlined synthesis of complex aromatic scaffolds.

Safety Information

Download SDS

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 26.3
LogP 2.68322
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

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 4-bromo-3-fluoro-2-methylbenzoate

CAS No. 1365969-22-7

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