tert-Butyl 4-formyl-1H-pyrazole-1-carboxylate

Name: tert-Butyl 4-formyl-1H-pyrazole-1-carboxylate
Brand: ChemScene
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CAS No. 821767-61-7
Cat. No. CS-0042886
Purity≥97%
MDL No.None

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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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tert-Butyl 4-formyl-1H-pyrazole-1-carboxylate|CS-0042886

Structure of 821767-61-7

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Description

tert-Butyl 4-formyl-1H-pyrazole-1-carboxylate features a reactive aldehyde group positioned at the pyrazole C4 position, enabling direct functionalization in multistep synthesis. The tert-butyl ester moiety provides enhanced stability and ease of handling under standard conditions, while the electron-deficient pyrazole ring supports selective transformations. This reagent integrates efficiently into diverse heterocyclic scaffolds for medicinal chemistry applications.

Application

tert-Butyl 4-formyl-1H-pyrazole-1-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient access to pyrazole-based scaffolds. The formyl group facilitates direct functionalization via nucleophilic additions, oxime formation, or reductive amination, while the tert-butyl ester provides bench stability and convenient deprotection under mild acidic conditions. Its compatibility with diverse reaction conditions makes it suitable for constructing bioactive heterocycles and fragment libraries.

General Information

CAS No. 821767-61-7
Cat. No. CS-0042886
Purity ≥97%
MDL No. None
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₂N₂O₃
Molecular Weight 196.20
Synonym(s) tert-butyl 4-formylpyrazole-1-carboxylate
SMILES CC(C)(C)OC(=O)N1C=C(C=O)C=N1

Computational Chemistry Data

TPSA 61.19
LogP 1.4788
H_Acceptors 5
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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Other Classifications

Building Blocks Functional Group Aldehyde

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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tert-Butyl 4-formyl-1H-pyrazole-1-carboxylate

CAS No. 821767-61-7

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