Lot numbers can be found on the outside label of a product:
Methyl 3-amino-3-oxopropanoate
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CAS No. 51513-29-2
- Cat. No. CS-W022821
- Purity≥97%
- MDL No.MFCD00674533
*For research and further manufacturing use only, not for direct human use.
Structure of 51513-29-2
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General Information
- CAS No. 51513-29-2
- Cat. No. CS-W022821
- Purity ≥97%
- MDL No. MFCD00674533
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₄H₇NO₃
- Molecular Weight 117.10
- Synonym(s) Methyl Malonamate
- SMILES O=C(OC)CC(N)=O
Description
Methyl 3-amino-3-oxopropanoate features a strategically positioned amino group adjacent to a ketone and ester, enabling direct integration into diverse synthetic sequences. This bifunctional intermediate supports efficient access to nitrogen-containing heterocycles and peptide mimetics under mild conditions. The molecule exhibits enhanced stability and solubility in common organic solvents, facilitating straightforward handling in process development workflows.
Application
Methyl 3-amino-3-oxopropanoate serves as a versatile synthon in heterocyclic synthesis, enabling efficient access to pyrrolidine and imidazole scaffolds via cyclization reactions. Its amino and ester functionalities support orthogonal reactivity, facilitating sequential transformations under mild conditions. The compound exhibits good bench stability and is readily purified by distillation or flash chromatography, making it well-suited for iterative synthetic workflows in medicinal chemistry and process development.
Synthesis
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Route1
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In-stock
3196-73-4 -
814-49-3 - ~15%
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In-stock
51513-29-2
References
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Beecham Group Limited Patent: US4200635 A1, 1980 ;
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Route2
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In-stock
105-34-0 - ~%
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In-stock
51513-29-2
References
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Knapp, Spring Melody M.; Sherbow, Tobias J.; Yelle, Robert B.; Juliette, J. Jerrick; Tyler, David R. Organometallics, 2013 , vol. 32, # 13 p. 3744 - 3752
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Route3
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77287-34-4
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In-stock
108-59-8 - ~42%
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In-stock
51513-29-2
References
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Zradni, Fatima-Zohra; Hamelin, Jack; Derdour, Aicha Synthetic Communications, 2002 , vol. 32, # 22 p. 3525 - 3531
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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 69.39
- LogP -0.9652
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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