Lot numbers can be found on the outside label of a product:
Ethyl 5-amino-1H-pyrazole-3-carboxylate
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CAS No. 105434-90-0
- Cat. No. CS-W018572
- Purity≥97%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 105434-90-0
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General Information
- CAS No. 105434-90-0
- Cat. No. CS-W018572
- Purity ≥97%
- MDL No. None
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₉N₃O₂
- Molecular Weight 155.15
- Synonym(s) 5-Amino-1H-pyrazole-3-carboxylic acid ethyl ester
- SMILES CCOC(C1=NNC(N)=C1)=O
Description
Ethyl 5-amino-1H-pyrazole-3-carboxylate features a pyrazole core bearing both amino and ester functionalities, enabling direct incorporation into diverse heterocyclic scaffolds. The electron-rich pyrazole ring facilitates metal-catalyzed coupling reactions, while the amino group offers a handle for derivatization under mild conditions. This bench-stable reagent streamlines access to bioactive nitrogen-containing compounds in medicinal chemistry and materials science.
Application
Ethyl 5-amino-1H-pyrazole-3-carboxylate serves as a versatile building block in medicinal chemistry and heterocyclic synthesis. The amino and ester functionalities enable sequential transformations, including amidation, acylation, and coupling reactions. Its stability under standard reaction conditions facilitates purification and scalability, making it well-suited for constructing pyrazole-based pharmacophores and API intermediates.
Synthesis
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Route1
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In-stock
39846-84-9 - ~88%
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In-stock
105434-90-0
References
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Skinner, Philip J.; Webb, Peter J.; Sage, Carleton R; Dang, Huong T.; Pride, Cameron C.; Chen, Ruoping; Tamura, Susan Y.; Richman, Jeremy G.; Connolly, Daniel T.; Semple, Graeme Bioorganic and Medicinal Chemistry Letters, 2009 , vol. 19, # 15 p. 4207 - 4209
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Route2
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95-92-1 -
75-05-8
- ~49%
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In-stock
105434-90-0
References
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AJINOMOTO CO., INC. Patent: US2011/294781 A1, 2011 ; Location in patent: Page/Page column 44 ;
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Route3
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In-stock
6294-89-9 - ~40%
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In-stock
105434-90-0
References
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MERZ PHARMA GMBH and CO. KGAA Patent: US2008/32998 A1, 2008 ; Location in patent: Page/Page column 20 ; US 20080032998 A1
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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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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Quality Control
Computational Chemistry Data
- TPSA 81
- LogP 0.1686
- H_Acceptors 4
- H_Donors 2
- Rotatable_Bonds 2
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Key Words
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