Isopropyl Cyanoacetate TCI C1001

Chemical Identity

Other names: Cyanoacetic Acid Isopropyl Ester
CAS No.: 13361-30-3
PubChem: CID 25917·SID 87566045
Formula: C6H9NO2
Molecular weight: 127.14 g/mol
Purity: >97.0%(GC)
Reference databases: ECHA

Full identifiers (IUPAC, SMILES, InChIKey)

IUPAC: propan-2-yl 2-cyanoacetate
SMILES: CC(C)OC(=O)CC#N
InChIKey: BESQLCCRQYTQQI-UHFFFAOYSA-N
MDL: MDL00019842

Rp 875.700,00

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Volume 25mL 500mL

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TCI C1001 Isopropyl Cyanoacetate (CAS 13361-30-3) is a branched active-methylene ester in which the CH₂ group between the nitrile and ester is easily deprotonated by simple amine bases. It performs reliably in Knoevenagel condensations, Gewald reactions, and multicomponent one-pot syntheses that build carbon–carbon bonds efficiently. Its condensation products are common precursors to pyridones, pyrimidines, thiophenes, and other nitrogen-containing heterocycles of pharmaceutical interest. AMI Scientific offers 25 mL and 500 mL packs; handle in a fume hood and store tightly closed in a cool, dry, well-ventilated place.