Lot numbers can be found on the outside label of a product:
Methyl 1H-pyrazole-4-carboxylate
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CAS No. 51105-90-9
- Cat. No. CS-W005446
- Purity≥98%
- MDL No.MFCD00297363
*For research and further manufacturing use only, not for direct human use.
Structure of 51105-90-9
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General Information
- CAS No. 51105-90-9
- Cat. No. CS-W005446
- Purity ≥98%
- MDL No. MFCD00297363
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₅H₆N₂O₂
- Molecular Weight 126.11
- Synonym(s) PYRAZOLE-4-CARBOXYLIC ACID METHYL ESTER
- SMILES O=C(C1=CNN=C1)OC
Description
Methyl 1H-pyrazole-4-carboxylate features a pyrazole ring bearing a methyl ester at the 4-position, enabling direct integration into heterocyclic synthesis. The electron-deficient pyrazole core supports transition metal-catalyzed couplings and functionalization reactions. This bench-stable reagent facilitates efficient access to bioactive pyrazole derivatives under standard conditions.
Application
Methyl 1H-pyrazole-4-carboxylate serves as a versatile building block in medicinal chemistry and heterocyclic synthesis. The pyrazole ring exhibits robust stability and functional group tolerance, enabling direct derivatization at the C4 position via nucleophilic substitution or transition-metal-catalyzed coupling. Its ester moiety facilitates selective reduction or hydrolysis, providing access to key intermediates for API development. Bench-stable and compatible with standard purification methods, it functions effectively in multi-step syntheses requiring orthogonality and predictable reactivity.
Synthesis
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Route1
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In-stock
37718-11-9 - ~81%
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In-stock
51105-90-9
References
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The Regents of the Univ. of California Patent: US5066479 A1, 1991 ;
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Route2
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875554-08-8 - ~91%
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In-stock
51105-90-9
References
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Anderson, Erin D.; Boger, Dale L. Journal of the American Chemical Society, 2011 , vol. 133, # 31 p. 12285 - 12292
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Route3
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80981-25-5
- ~76%
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In-stock
51105-90-9
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96-31-1
References
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Hirota, Kosaku; Kitade, Yukio; Shimada, Kaoru; Senda, Shiego; Maki, Yoshifumi Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1983 , p. 1293 - 1298
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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 54.98
- LogP 0.1963
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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