1-(3-Bromo-2-hydroxy-5-methylphenyl)ethanone

Name: 1-(3-Bromo-2-hydroxy-5-methylphenyl)ethanone
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CAS No. 56609-15-5
Cat. No. CS-0434864
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+
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-(3-Bromo-2-hydroxy-5-methylphenyl)ethanone|CS-0434864

Structure of 56609-15-5

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Description

1-(3-Bromo-2-hydroxy-5-methylphenyl)ethanone features a brominated phenolic scaffold with a ketone-linked ethyl group, enabling direct integration into Suzuki-Miyaura couplings and electrophilic functionalization sequences. The ortho-hydroxyl and para-methyl groups confer enhanced reactivity and solubility in polar organic media, while the bromine atom serves as a high-efficiency coupling handle under standard palladium catalysis.

Application

1-(3-Bromo-2-hydroxy-5-methylphenyl)ethanone serves as a versatile building block in medicinal chemistry, enabling direct incorporation of brominated phenolic motifs into complex scaffolds. The ketone functionality facilitates nucleophilic additions and condensation reactions, while the ortho-hydroxyl group supports in situ esterification or metal-catalyzed coupling processes. Bench-stable and amenable to standard purification methods, it functions effectively in late-stage functionalization and heterocycle synthesis workflows.

General Information

CAS No. 56609-15-5
Cat. No. CS-0434864
Purity ≥98%
MDL No. None
Storage RT, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₉BrO₂
Molecular Weight 229.07
Synonym(s) 3'-bromo-2'-hydroxy-5'-methylacetophenone
SMILES CC(C1=CC(C)=CC(Br)=C1O)=O

Computational Chemistry Data

TPSA 37.3
LogP 2.66572
H_Acceptors 2
H_Donors 1
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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-(3-Bromo-2-hydroxy-5-methylphenyl)ethanone

CAS No. 56609-15-5

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