Ethyl Cyanoacetate
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105-56-6Ethyl Cyanoacetate

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Catalogue No.:VE006051
CAS No.:105-56-6
Mol. Formula:C5H7NO2
Mol. Weight:113.11 g/mol

Additional information on CAS 105-56-6

Parent drug

N/A

IUPAC Name

Ethyl 2-Cyanoacetate

Synonyms

Cyanoacetic acid ethyl ester; Ethyl cyanoethanoate; Cyanacetate ethyle

Pharmacopeial Synonyms

N/A

Smiles

O=C(OCC)CC#N

InChI

InChI=1S/C5H7NO2/c1-2-8-5(7)3-4-6/h2-3H2,1H3

Description

Ethyl cyanoacetate, CAS 105-56-6, is the ethyl ester of cyanoacetic acid and a reactive cyanoester intermediate with formula C5H7NO2 and molecular weight 113.11 g/mol. In impurity profiles it may arise from esterification or transesterification chemistry and can persist as a process-related residual in routes involving activated methylene compounds. The nitrile and ester functions confer distinct polarity and fragmentation behavior, making LC-MS/MS and GC-MS the preferred techniques for trace identification and quantification. Its structural alert profile is generally assessed within impurity control strategies because cyano-functional species require careful evaluation of reactivity and potential toxicological relevance.

References

“Solvent-Free Microwave Enhanced Knoevenagel Condensation of Ethyl Cyanoacetate with Aldehydes.” Synthetic Communications, 2021, www.tandfonline.com/doi/abs/10.1080/00397919908086438. “Solvent-Free Synthesis of Ethyl a-Cyanocinnamate in the Presence of CaO.” Synthetic Communications, 2021, www.tandfonline.com/doi/abs/10.1081/SCC-120037918?journalCode=lsyc20. ?

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