5-Bromo-3-phenylisoxazole

Name: 5-Bromo-3-phenylisoxazole
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CAS No. 3356-92-1
Cat. No. CS-0437091
Molecule weight224.05
Purity≥98%
MDL No.None

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General Information

CAS No. 3356-92-1
Cat. No. CS-0437091
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₆BrNO
Molecular Weight 224.05
Synonym(s) Nsc295880
SMILES BrC1=CC(C2=CC=CC=C2)=NO1

Description

5-Bromo-3-phenylisoxazole is a stable, bench-ready heterocycle featuring a bromine atom at the 5-position and a phenyl group at the 3-position. This electron-deficient isoxazole integrates readily into cross-coupling reactions, enabling efficient access to functionalized aromatic scaffolds in medicinal chemistry and materials science.

Application

5-Bromo-3-phenylisoxazole serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions due to its stable bromine substituent. The isoxazole core exhibits good bench stability and tolerates a range of functional groups, facilitating efficient construction of complex heterocyclic architectures. It functions effectively in the synthesis of bioactive molecules and pharmaceutical intermediates.

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 26.03
LogP 3.1041
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Isoxazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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5-Bromo-3-phenylisoxazole

CAS No. 3356-92-1

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