4-Bromo-1-(oxetan-3-yl)-1H-pyrazole

Name: 4-Bromo-1-(oxetan-3-yl)-1H-pyrazole
Brand: ChemScene
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CAS No. 1374657-02-9
Cat. No. CS-0051026
Purity≥98%
MDL No.MFCD21849011

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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4-Bromo-1-(oxetan-3-yl)-1H-pyrazole|CS-0051026

Structure of 1374657-02-9

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General Information

CAS No. 1374657-02-9
Cat. No. CS-0051026
Purity ≥98%
MDL No. MFCD21849011
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₇BrN₂O
Molecular Weight 203.04
Synonym(s) 4-Bromo-1-(oxetan-3-yl)pyrazole
SMILES BrC1=CN(N=C1)C1COC1

Description

4-Bromo-1-(oxetan-3-yl)-1H-pyrazole features a brominated pyrazole core paired with a strained oxetane ring, enhancing its reactivity in cross-coupling and bioconjugation workflows. This bench-stable heterocycle integrates readily into drug discovery scaffolds, offering improved metabolic stability and solubility compared to traditional alkyl linkers.

Application

4-Bromo-1-(oxetan-3-yl)-1H-pyrazole serves as a versatile building block for constructing bioactive heterocycles, enabling palladium-catalyzed cross-coupling reactions with high functional group tolerance. The oxetane ring enhances solubility and metabolic stability, while the bromopyrazole moiety facilitates efficient C–C bond formation in medicinal chemistry applications. Its bench-stable, crystalline nature supports straightforward handling and purification in multi-step syntheses.

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-P301+P310-P330-P501

Quality Control

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Computational Chemistry Data

TPSA 27.05
LogP 1.2169
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Oxetane compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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4-Bromo-1-(oxetan-3-yl)-1H-pyrazole

CAS No. 1374657-02-9

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