Ethyl 5-bromo-1-(3-chlorophenyl)-1H-pyrazole-4-carboxylate

Name: Ethyl 5-bromo-1-(3-chlorophenyl)-1H-pyrazole-4-carboxylate
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CAS No. 110821-39-1
Cat. No. CS-0308210
Purity≥98%
MDL No.None

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Ethyl 5-bromo-1-(3-chlorophenyl)-1H-pyrazole-4-carboxylate|CS-0308210

Structure of 110821-39-1

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Description

Ethyl 5-bromo-1-(3-chlorophenyl)-1H-pyrazole-4-carboxylate features a brominated pyrazole core paired with a chlorophenyl substituent and an ethyl ester handle, enabling direct integration into cross-coupling reactions. The electron-deficient pyrazole ring facilitates palladium-catalyzed transformations, while the sterically accessible bromine site supports efficient functionalization under standard conditions.

Application

Ethyl 5-bromo-1-(3-chlorophenyl)-1H-pyrazole-4-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions due to its bromo and ester functionalities. The 3-chlorophenyl moiety provides orthogonal reactivity for further functionalization, while the pyrazole core offers stability and compatibility with standard reaction conditions. This compound facilitates efficient access to biologically relevant scaffolds through iterative coupling and derivatization strategies.

General Information

CAS No. 110821-39-1
Cat. No. CS-0308210
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₀BrClN₂O₂
Molecular Weight 329.58
Synonym(s) 5-Bromo-1-(3-chlorophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester
SMILES CCOC(=O)C1=C(Br)N(C2=CC=CC(=C2)Cl)N=C1

Computational Chemistry Data

TPSA 44.12
LogP 3.4649
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 3

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-P405-P501

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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Ethyl 5-bromo-1-(3-chlorophenyl)-1H-pyrazole-4-carboxylate

CAS No. 110821-39-1

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