Isobutyl Cyanoacetate TCI C1000

Chemical Identity

Other names: Cyanoacetic Acid Isobutyl Ester
CAS No.: 13361-31-4
Formula: C7H11NO2
Molecular weight: 141.17 g/mol
Purity: >98.0%(GC)

Full identifiers (IUPAC, SMILES, InChIKey)

IUPAC: 2-methylpropyl 2-cyanoacetate
SMILES: CC(C)COC(=O)CC#N
InChIKey: HRGQEKKNLHJZGZ-UHFFFAOYSA-N
MDL: MDL00044320
PubChem: CID 25918

Rp 505.050,00

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Volume 25mL 500mL

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TCI C1000 Isobutyl Cyanoacetate (CAS 13361-31-4) is an active methylene reagent whose central CH₂ group sits between a nitrile and an ester, making it readily deprotonated by mild bases. This reactivity supports Knoevenagel condensations, Gewald 2-aminothiophene synthesis, and direct alkylation for controlled carbon–carbon bond formation. The resulting adducts are valuable precursors to pyridines, pyrimidines, coumarins, and other heterocyclic scaffolds used in pharmaceutical and dye research. AMI Scientific supplies 25 mL and 500 mL packs of this liquid; handle it in a fume hood and store it tightly closed in a cool, dry, well-ventilated area.

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