1-(2-Bromo-5-methylphenyl)ethanone

Name: 1-(2-Bromo-5-methylphenyl)ethanone
Brand: ChemScene
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CAS No. 77344-70-8
Cat. No. CS-0188433
Purity≥98%
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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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-(2-Bromo-5-methylphenyl)ethanone|CS-0188433

Structure of 77344-70-8

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Description

1-(2-Bromo-5-methylphenyl)ethanone features a brominated aromatic ring fused to an acetyl group, enabling direct functionalization in cross-coupling reactions. The para-methyl substitution enhances electron density at the reaction site, while the bromine serves as a reliable coupling handle. This compound offers high reactivity under standard palladium-catalyzed conditions and maintains stability during storage and handling.

Application

1-(2-Bromo-5-methylphenyl)ethanone serves as a versatile building block for palladium-catalyzed cross-coupling reactions, enabling efficient construction of biaryl architectures. Its bromo group facilitates reliable Suzuki, Stille, and Negishi couplings, while the acetyl functionality offers orthogonal reactivity for further functionalization. The compound exhibits good bench stability and is readily purified by recrystallization, making it well-suited for iterative synthesis in medicinal chemistry and process development workflows.

General Information

CAS No. 77344-70-8
Cat. No. CS-0188433
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₉BrO
Molecular Weight 213.07
Synonym(s) 1-(2-bromo-5-methylphenyl)ethan-1-one
SMILES CC1=CC(=C(C=C1)Br)C(=O)C

Computational Chemistry Data

TPSA 17.07
LogP 2.96012
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 1

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
Precautionary Statements : P261-P302+P352

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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-(2-Bromo-5-methylphenyl)ethanone

CAS No. 77344-70-8

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