Ethyl 3-bromo-1H-pyrazole-4-carboxylate

Name: Ethyl 3-bromo-1H-pyrazole-4-carboxylate
Brand: ChemScene
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CAS No. 1353100-91-0
Cat. No. CS-W019602
Purity≥95%
MDL No.MFCD12032195

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Ethyl 3-bromo-1H-pyrazole-4-carboxylate|CS-W019602

Structure of 1353100-91-0

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General Information

CAS No. 1353100-91-0
Cat. No. CS-W019602
Purity ≥95%
MDL No. MFCD12032195
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₇BrN₂O₂
Molecular Weight 219.04
Synonym(s) 1H-Pyrazole-4-carboxylic acid, 5-bromo-, ethyl ester
SMILES BrC1=NNC=C1C(OCC)=O

Description

Ethyl 3-bromo-1H-pyrazole-4-carboxylate features a brominated pyrazole core with a pendant ethyl ester, enabling direct functionalization at the 3-position. This bench-stable reagent integrates readily into cross-coupling and nucleophilic substitution workflows, delivering access to diverse heterocyclic architectures under mild conditions.

Application

Ethyl 3-bromo-1H-pyrazole-4-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyrazole scaffolds via palladium-catalyzed cross-coupling reactions. The bromo group facilitates reliable functionalization under standard coupling conditions, while the ester moiety supports further derivatization. This reagent exhibits excellent bench stability and compatibility with diverse reaction environments, making it well-suited for medicinal chemistry campaigns and process-scale applications.

Synthesis

Route1
- 6994-25-8
- ~99%
- In-stock
  
  1353100-91-0
References
- Pfizer Inc Patent: US2012/108619 A1, 2012 ; Location in patent: Page/Page column 26 ;

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 54.98
LogP 1.3489
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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Ethyl 3-bromo-1H-pyrazole-4-carboxylate

CAS No. 1353100-91-0

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