4-Bromo-5-methylisoxazole

Name: 4-Bromo-5-methylisoxazole
Brand: ChemScene
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CAS No. 7064-37-1
Cat. No. CS-W006910
Purity≥96%
MDL No.MFCD13689016

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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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Structure of 7064-37-1

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Description

4-Bromo-5-methylisoxazole is a bench-stable heterocyclic building block featuring a bromine atom at the 4-position and a methyl group at the 5-position. This electron-deficient isoxazole integrates readily into cross-coupling reactions, enabling efficient access to substituted aromatic systems under standard conditions.

Application

4-Bromo-5-methylisoxazole serves as a versatile building block in medicinal chemistry, enabling efficient construction of heterocyclic scaffolds via palladium-catalyzed cross-coupling reactions. Its bromine substituent facilitates reliable C–C bond formation under standard conditions, while the methyl group enhances metabolic stability and modulates electronic properties. The compound exhibits excellent bench stability and is readily purified by column chromatography, making it ideal for scalable synthesis of bioactive molecules.

General Information

CAS No. 7064-37-1
Cat. No. CS-W006910
Purity ≥96%
MDL No. MFCD13689016
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₄H₄BrNO
Molecular Weight 161.99
Synonym(s) ethyl 1-(5-cyano-3-{[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-6-oxo-1-propyl-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate
SMILES CC1=C(Br)C=NO1

Computational Chemistry Data

TPSA 26.03
LogP 1.74552
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

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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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Isoxazole compounds

Key Words

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4-Bromo-5-methylisoxazole

CAS No. 7064-37-1

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