1-(2-Bromo-3-methylphenyl)ethanone

Name: 1-(2-Bromo-3-methylphenyl)ethanone
Brand: ChemScene
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CAS No. 944268-58-0
Cat. No. CS-0153706
Molecule weight213.07
Purity≥96%
MDL No.MFCD22573015

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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1-(2-Bromo-3-methylphenyl)ethanone|CS-0153706

Structure of 944268-58-0

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General Information

CAS No. 944268-58-0
Cat. No. CS-0153706
Purity ≥96%
MDL No. MFCD22573015
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₉BrO
Molecular Weight 213.07
Synonym(s) Fluralaner-005
SMILES CC1=C(C(=CC=C1)C(=O)C)Br

Description

1-(2-Bromo-3-methylphenyl)ethanone features a brominated aromatic ring fused to an acetyl group, enabling direct functionalization in cross-coupling reactions. The ortho-bromo substituent facilitates palladium-catalyzed transformations, while the methyl group provides steric and electronic modulation. This ketone serves as a key intermediate in pharmaceutical synthesis and materials chemistry, offering predictable reactivity under standard conditions.

Application

1-(2-Bromo-3-methylphenyl)ethanone serves as a versatile building block in medicinal chemistry and heterocyclic synthesis. The bromo group enables palladium-catalyzed cross-coupling reactions, while the acetyl functionality provides a handle for further functionalization via enolization or nucleophilic substitution. Its bench-stable nature and compatibility with standard reaction conditions facilitate efficient assembly of complex scaffolds in API development workflows.

Synthesis

Route1
- In-stock
  
  6148-64-7
- 121794-40-9
- ~%
- In-stock
  
  944268-58-0
References
- LABORATOIRE BIODIM; CHASSET, Sophie; CHEVREUIL, Francis; LEDOUSSAL, Benoit; LE STRAT, Frederic; BENAROUS, Richard Patent: WO2012/140243 A1, 2012 ; Location in patent: Page/Page column 86-87 ;
Route2
- In-stock
  
  53663-39-1
- ~%
- In-stock
  
  944268-58-0
References
- LABORATOIRE BIODIM; CHASSET, Sophie; CHEVREUIL, Francis; LEDOUSSAL, Benoit; LE STRAT, Frederic; BENAROUS, Richard Patent: WO2012/140243 A1, 2012 ;

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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Computational Chemistry Data

TPSA 17.07
LogP 2.96012
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-(2-Bromo-3-methylphenyl)ethanone

CAS No. 944268-58-0

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