1-tert-Butyl 4-ethyl 3-hydroxy-1H-pyrazole-1,4-dicarboxylate

CAS No. 178424-17-4
Cat. No. CS-0052363
Molecule weight256.26
Purity≥98%
MDL No.None

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1-tert-Butyl 4-ethyl 3-hydroxy-1H-pyrazole-1,4-dicarboxylate|CS-0052363

Structure of 178424-17-4

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General Information

CAS No. 178424-17-4
Cat. No. CS-0052363
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₆N₂O₅
Molecular Weight 256.26
Synonym(s) 1-tert-butyl-4-ethyl-3-hydroxy-1H-pyrazole-1,4-dicarboxylate
SMILES CCOC(=O)C1=CN(N=C1O)C(=O)OC(C)(C)C

Description

1-tert-Butyl 4-ethyl 3-hydroxy-1H-pyrazole-1,4-dicarboxylate features a bench-stable pyrazole core with orthogonal functional handles: a hydroxyl group for derivatization and two ester moieties enabling sequential transformations. This configuration supports modular synthesis of heterocyclic scaffolds under standard conditions.

Application

1-tert-Butyl 4-ethyl 3-hydroxy-1H-pyrazole-1,4-dicarboxylate serves as a versatile pyrazole-based building block for medicinal chemistry and heterocyclic synthesis. The protected hydroxyl group enables selective derivatization, while the dicarboxylate functionality supports modular transformations. Its bench-stable nature and compatibility with standard coupling reactions facilitate efficient construction of complex scaffolds in API development workflows.

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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Computational Chemistry Data

TPSA 90.65
LogP 1.5486
H_Acceptors 7
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Alcohol

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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1-tert-Butyl 4-ethyl 3-hydroxy-1H-pyrazole-1,4-dicarboxylate

CAS No. 178424-17-4

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