tert-Butyl 1H-pyrazole-4-carboxylate

Name: tert-Butyl 1H-pyrazole-4-carboxylate
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CAS No. 611239-23-7
Cat. No. CS-0048473
Purity≥97%
MDL No.None

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tert-Butyl 1H-pyrazole-4-carboxylate|CS-0048473

Structure of 611239-23-7

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General Information

CAS No. 611239-23-7
Cat. No. CS-0048473
Purity ≥97%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₁₂N₂O₂
Molecular Weight 168.19
Synonym(s) 1H-Pyrazole-4-carboxylic acid, 1,1-diMethylethyl ester
SMILES CC(C)(C)OC(=O)C1=CNN=C1

Description

tert-Butyl 1H-pyrazole-4-carboxylate features a pyrazole core with a tert-butyl ester at the C4 position, offering enhanced stability and solubility in organic media. This bench-stable reagent integrates readily into synthetic sequences involving heterocyclic scaffolds, serving as a key intermediate for bioactive compound development.

Application

tert-Butyl 1H-pyrazole-4-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient access to pyrazole-based scaffolds through standard hydrolysis or coupling reactions. Its tert-butyl ester functionality offers excellent bench stability and ease of purification, while the pyrazole core provides robust heterocyclic diversity for drug discovery applications.

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-P280-P302+P352

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Computational Chemistry Data

TPSA 54.98
LogP 1.365
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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tert-Butyl 1H-pyrazole-4-carboxylate

CAS No. 611239-23-7

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