Ethanone, 1-(2-bromo-4-hydroxyphenyl)-

Name: Ethanone, 1-(2-bromo-4-hydroxyphenyl)-
Brand: ChemScene
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CAS No. 61791-99-9
Cat. No. CS-0031408
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+
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Ethanone, 1-(2-bromo-4-hydroxyphenyl)-|CS-0031408

Structure of 61791-99-9

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General Information

CAS No. 61791-99-9
Cat. No. CS-0031408
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇BrO₂
Molecular Weight 215.04
Synonym(s) 2''-BROMO-4''-HYDROXYACETOPHENONE
SMILES CC(C1=CC=C(C=C1Br)O)=O

Description

1-(2-Bromo-4-hydroxyphenyl)ethanone features a brominated phenolic moiety paired with a ketone functionality, enabling direct incorporation into bioactive scaffolds. The para-hydroxyl group facilitates conjugation and metal chelation, while the ortho-bromine serves as a reactive handle for cross-coupling transformations under standard conditions. This compound demonstrates robust stability and compatibility with diverse synthetic workflows in medicinal chemistry and materials science applications.

Application

1-(2-Bromo-4-hydroxyphenyl)ethanone serves as a versatile building block in medicinal chemistry, enabling efficient access to brominated phenolic scaffolds. Its ortho-bromo and para-hydroxyl groups provide orthogonal functional handles for Suzuki-Miyaura coupling, nucleophilic substitution, and directed metalation reactions. The ketone moiety enhances reactivity in enolization and conjugate addition processes. Bench-stable and readily purified by recrystallization, it functions reliably in multi-step syntheses of bioactive heterocycles and pharmaceutical intermediates.

Synthesis

Route1
- In-stock
  
  7789-45-9
- 99-93-4
- ~%
- In-stock
  
  61791-99-9
References
- EP2216052 A1, ;
Route2
- In-stock
  
  35065-86-2
- ~%
- In-stock
  
  61791-99-9
References
- Taiwan Yaoxue Zazhi, , vol. 4, p. 38 Journal of the Chemical Society, , p. 146,149

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

Quality Control

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Computational Chemistry Data

TPSA 37.3
LogP 2.3573
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

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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Ethanone, 1-(2-bromo-4-hydroxyphenyl)-

CAS No. 61791-99-9

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