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28440 Sigma-Aldrich

tert-Butyl cyanoacetate

≥97.0% (GC)

  • CAS Number 1116-98-9

  • Linear Formula NCCH2COOC(CH3)3

  • Molecular Weight 141.17

  •  Beilstein/REAXYS Number 1755933

  •  EC Number 214-243-7

  •  MDL number MFCD00001938

  •  PubChem Substance ID 57648301

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters,
assay   ≥97.0% (GC)
refractive index   n20/D 1.420
bp   40-42 °C/0.1 mmHg (lit.)
density   0.988 g/mL at 20 °C (lit.)
storage temp.   2-8°C
SMILES string   CC(C)(C)OC(=O)CC#N
InChI   1S/C7H11NO2/c1-7(2,3)10-6(9)4-5-8/h4H2,1-3H3
InChI key   BFNYNEMRWHFIMR-UHFFFAOYSA-N

Description

General description

tert-Butyl cyanoacetate undergoes functionalization and decarboxylation to form 3-amino-4-alkyl isoquinolines.

Application

tert-Butyl cyanoacetate was used in the synthesis of vinylogous urea.

Packaging

10 mL in glass bottle

Safety & Documentation

Safety Information

RIDADR 
NONH for all modes of transport
WGK Germany 
3
Flash Point(F) 
244.4 °F
Flash Point(C) 
118 °C

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Protocols & Articles
Peer-Reviewed Papers
15

References

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