Lot numbers can be found on the outside label of a product:
Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate
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CAS No. 31037-02-2
- Cat. No. CS-W002244
- Purity≥98%
- MDL No.MFCD00051652
*For research and further manufacturing use only, not for direct human use.
Structure of 31037-02-2
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General Information
- CAS No. 31037-02-2
- Cat. No. CS-W002244
- Purity ≥98%
- MDL No. MFCD00051652
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₁₁N₃O₂
- Molecular Weight 169.18
- Synonym(s) Ethyl 5-amino-1-methylpyrazole-4-carboxylate
- SMILES CCOC(=O)c1cnn(c1N)C
Description
Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate features a pyrazole core with complementary amine and ester functionalities, enabling direct incorporation into diverse heterocyclic scaffolds. The electron-rich pyrazole ring enhances reactivity in transition-metal-catalyzed couplings, while the methyl and ethyl substituents provide steric control and solubility advantages under standard conditions.
Application
Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling access to diverse pyrazole-based scaffolds. The amino and ester functionalities offer orthogonal reactivity for derivatization via amidation, acylation, or coupling reactions. Its bench-stable nature and compatibility with standard synthetic protocols facilitate efficient incorporation into medicinal chemistry campaigns and API intermediate development.
Synthesis
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Route1
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In-stock
94-05-3 -
60-34-4 - ~87%
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In-stock
31037-02-2
References
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Ferring B.V. Patent: EP1512687 A1, 2005 ; Location in patent: Page/Page column 6 ;
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Route2
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60-34-4
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In-stock
94-05-3
- ~34%
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In-stock
31037-02-2
References
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Eli Lilly and Company Patent: US4620865 A1, 1986 ;
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Route3
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In-stock
42466-67-1 -
60-34-4
- ~85%
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In-stock
31037-02-2
References
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Kopp; Lancelot; Dallemagne; Rault Journal of Heterocyclic Chemistry, 2001 , vol. 38, # 5 p. 1045 - 1050
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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 : H315-H319-H335
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Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 70.14
- LogP 0.179
- H_Acceptors 5
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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