1-Bromo-2-methoxy-4-(methylsulfonyl)benzene

Name: 1-Bromo-2-methoxy-4-(methylsulfonyl)benzene
Brand: ChemScene
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CAS No. 90531-98-9
Cat. No. CS-0136659
Molecule weight265.12
Purity≥96%
MDL No.None

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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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1-Bromo-2-methoxy-4-(methylsulfonyl)benzene|CS-0136659

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General Information

CAS No. 90531-98-9
Cat. No. CS-0136659
Purity ≥96%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₉BrO₃S
Molecular Weight 265.12
Synonym(s) None
SMILES O=S(C1=CC=C(Br)C(OC)=C1)(C)=O

Description

1-Bromo-2-methoxy-4-(methylsulfonyl)benzene features a bromine atom at the ortho position relative to a methoxy group, with a methylsulfonyl moiety at the para position. This electronic configuration enhances reactivity in palladium-catalyzed cross-coupling reactions. The molecule exhibits excellent bench stability and solubility in common organic solvents, facilitating its use in synthetic workflows involving Suzuki-Miyaura and Negishi couplings.

Application

1-Bromo-2-methoxy-4-(methylsulfonyl)benzene serves as a versatile aryl halide building block for palladium-catalyzed cross-coupling reactions. The methoxy and methylsulfonyl groups provide orthogonal functionality for further derivatization, while the bromine enables reliable Suzuki, Stille, or Negishi coupling under standard conditions. Bench-stable and amenable to straightforward purification, it facilitates efficient construction of substituted biaryls and complex heterocyclic scaffolds in medicinal chemistry and materials synthesis.

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 43.37
LogP 1.8612
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-Bromo-2-methoxy-4-(methylsulfonyl)benzene

CAS No. 90531-98-9

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