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28452 Sigma-Aldrich

Isopropyl cyanoacetate

≥98.0%

  • CAS Number 13361-30-3

  • Linear Formula NCCH2COOCH(CH3)2

  • Molecular Weight 127.14

  •  Beilstein/REAXYS Number 1756014

  •  EC Number 236-421-3

  •  MDL number MFCD00019842

  •  PubChem Substance ID 57648305

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters,
Quality Level   100
assay   ≥98.0%
refractive index   n20/D 1.416
bp   207 °C (lit.)
density   1.013 g/mL at 20 °C (lit.)
SMILES string   CC(C)OC(=O)CC#N
InChI   1S/C6H9NO2/c1-5(2)9-6(8)3-4-7/h5H,3H2,1-2H3
InChI key   BESQLCCRQYTQQI-UHFFFAOYSA-N

Description

Application

Isopropyl cyanoacetate was used in the synthesis of 3-substituted coumarins by undergoing Knöevenagel reactions with aldehydes and ketones.

Packaging

250 mL in glass bottle

Safety & Documentation

Safety Information

WGK Germany 
WGK 2
RTECS 
AG4270000
Protocols & Articles

Articles

Knoevenagel Condensation Reaction

The Knoevenagel Condensation Reaction is a classic organic synthesis, described by Emil Knoevenagel in the 1890’s. The Knoevenagel reaction is a modified Aldol Condensation with a nucleophilic additi...
Keywords: Aldol condensation, C-C bond formation, Condensations, Dehydration reaction, Knoevenagel Condensation, Nucleophilic additions, Organic synthesis

Peer-Reviewed Papers
15

References

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