Lot numbers can be found on the outside label of a product:
Ethyl 5-amino-1-methyl-1H-imidazole-4-carboxylate
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CAS No. 54147-04-5
- Cat. No. CS-0056195
- Purity≥95%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 54147-04-5
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General Information
- CAS No. 54147-04-5
- Cat. No. CS-0056195
- Purity ≥95%
- MDL No. None
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₁₁N₃O₂
- Molecular Weight 169.18
- Synonym(s) N1-methyl-4-ethoxycarbonyl-5-aminoimidazole
- SMILES O=C(C1=C(N)N(C)C=N1)OCC
Description
Ethyl 5-amino-1-methyl-1H-imidazole-4-carboxylate features a dual functionalization pattern with a nucleophilic amino group and an electrophilic ester, enabling direct coupling reactions. The imidazole core provides metabolic stability and hydrogen-bonding capacity, while the methyl substitution enhances solubility and steric profile. This scaffold serves as a key intermediate in medicinal chemistry for triazole and amidine derivatives.
Application
Ethyl 5-amino-1-methyl-1H-imidazole-4-carboxylate serves as a versatile building block in medicinal chemistry, enabling the synthesis of imidazole-based scaffolds through standard amine functionalization and coupling reactions. The molecule exhibits bench stability, facilitates efficient purification, and demonstrates compatibility with diverse reaction conditions, making it well-suited for constructing bioactive heterocycles and API intermediates.
Synthesis
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Route1
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122-51-0 -
74-89-5
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32683-02-6 - ~%
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In-stock
54147-04-5
References
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Alenin, V. V.; Kostikova, T. R.; Domkin, V. D. J. Gen. Chem. USSR (Engl. Transl.), 1987 , vol. 57, # 3 p. 692 - 701,609 - 617
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Route2
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74-89-5
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32683-02-6
- ~%
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In-stock
54147-04-5
References
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NEUROGEN CORPORATION Patent: WO2008/24438 A2, 2008 ; Location in patent: Page/Page column 42-43 ;
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Route3
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89765-51-5
- ~%
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In-stock
54147-04-5
References
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Cook et al. Journal of the Chemical Society, 1948 , p. 2031
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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 70.14
- LogP 0.179
- H_Acceptors 5
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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