4-Bromo-2-cyclopropyl-2H-1,2,3-triazole

Name: 4-Bromo-2-cyclopropyl-2H-1,2,3-triazole
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 1514587-19-9
Cat. No. CS-0099867
Purity≥95%
MDL No.None

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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-2-cyclopropyl-2H-1,2,3-triazole|CS-0099867

Structure of 1514587-19-9

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Description

4-Bromo-2-cyclopropyl-2H-1,2,3-triazole is a stable, bench-ready triazole derivative featuring a bromine substituent at the C4 position and a cyclopropyl group at C2. This combination imparts enhanced lipophilicity and metabolic stability, enabling efficient incorporation into bioactive scaffolds via palladium-catalyzed cross-coupling reactions. The molecule’s rigidity and defined electronic profile support precise structural tuning in medicinal chemistry campaigns.

Application

4-Bromo-2-cyclopropyl-2H-1,2,3-triazole serves as a versatile building block in medicinal chemistry and cross-coupling synthesis. The bromine substituent enables palladium-catalyzed transformations such as Suzuki-Miyaura and Sonogashira couplings, while the cyclopropyl group provides steric and electronic modulation. The triazole core offers metabolic stability and hydrogen-bonding capability, facilitating interactions in target binding. This compound exhibits good bench stability and ease of purification, making it well-suited for modular library synthesis and API development.

General Information

CAS No. 1514587-19-9
Cat. No. CS-0099867
Purity ≥95%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₆BrN₃
Molecular Weight 188.03
Synonym(s) None
SMILES BrC1=NN(C2CC2)N=C1

Computational Chemistry Data

TPSA 30.71
LogP 1.3755
H_Acceptors 3
H_Donors 0
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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Key Words

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4-Bromo-2-cyclopropyl-2H-1,2,3-triazole

CAS No. 1514587-19-9

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