1-Bromo-2-methoxy-4-methylbenzene

Name: 1-Bromo-2-methoxy-4-methylbenzene
Brand: ChemScene
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CAS No. 95740-49-1
Cat. No. CS-W004967
Purity≥98%
MDL No.MFCD09029185

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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1-Bromo-2-methoxy-4-methylbenzene|CS-W004967

Structure of 95740-49-1

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Description

1-Bromo-2-methoxy-4-methylbenzene features a strategically positioned bromine atom adjacent to an electron-rich methoxy group, enhancing reactivity in palladium-catalyzed cross-coupling reactions. The methyl substituent provides steric and electronic tuning, while the molecule exhibits excellent stability under standard bench conditions. This aryl halide integrates efficiently into complex molecular architectures requiring selective functionalization.

Application

1-Bromo-2-methoxy-4-methylbenzene serves as a versatile aryl halide building block in cross-coupling reactions, enabling efficient C–C bond formation under palladium-catalyzed conditions. The methoxy and methyl groups provide orthogonal functional handles for further derivatization, while the bromine offers high reactivity in Suzuki, Stille, and Negishi couplings. Its bench-stable nature and clean purification profile make it well-suited for iterative synthesis of complex aromatic scaffolds in medicinal chemistry and materials science.

General Information

CAS No. 95740-49-1
Cat. No. CS-W004967
Purity ≥98%
MDL No. MFCD09029185
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₉BrO
Molecular Weight 201.06
Synonym(s) Benzene, 1-bromo-2-methoxy-4-methyl-
SMILES COC1=C(Br)C=CC(C)=C1

Computational Chemistry Data

TPSA 9.23
LogP 2.76612
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 1

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

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Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-Bromo-2-methoxy-4-methylbenzene

CAS No. 95740-49-1

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