Ethyl 1-methyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate

Name: Ethyl 1-methyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate
Brand: ChemScene
Availability: InStock
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CAS No. 103626-03-5
Cat. No. CS-W022639
Molecule weight170.17
Purity≥98%
MDL No.MFCD12131137

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Ethyl 1-methyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate|CS-W022639

Structure of 103626-03-5

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General Information

CAS No. 103626-03-5
Cat. No. CS-W022639
Purity ≥98%
MDL No. MFCD12131137
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₁₀N₂O₃
Molecular Weight 170.17
Synonym(s) 2,3-dihydro-1-Methyl-3-oxo-1H-Pyrazole-4-carboxylic acid ethyl ester
SMILES O=C(C1=CN(C)NC1=O)OCC

Description

Ethyl 1-methyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate features a reactive pyrazolone core with dual electrophilic sites, enabling efficient coupling in heterocyclic synthesis. The ester group enhances solubility and facilitates derivatization under mild conditions. This bench-stable reagent integrates readily into medicinal chemistry campaigns targeting nitrogen-rich scaffolds.

Application

Ethyl 1-methyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyrazole scaffolds via condensation and cyclization reactions. Its well-defined enolizable ketone and ester functionalities support diverse transformations, including nucleophilic additions and transition-metal-catalyzed couplings. The compound exhibits good bench stability and facilitates straightforward purification, making it suitable for scalable applications in medicinal chemistry and agrochemical research.

Synthesis

Route1
- In-stock
  
  103626-04-6
- ~90%
- In-stock
  
  103626-03-5
References
- Cottineau, Bertrand; Toto, Patrick; Marot, Christophe; Pipaud, Aline; Chenault, Jacques Bioorganic and medicinal chemistry letters, 2002 , vol. 12, # 16 p. 2105 - 2108
Route2
- In-stock
  
  478968-48-8
- ~%
- In-stock
  
  103626-03-5
References
- Cottineau, Bertrand; Toto, Patrick; Marot, Christophe; Pipaud, Aline; Chenault, Jacques Bioorganic and medicinal chemistry letters, 2002 , vol. 12, # 16 p. 2105 - 2108

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

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Computational Chemistry Data

TPSA 64.09
LogP -0.1099
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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Ethyl 1-methyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate

CAS No. 103626-03-5

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