245704

Sigma-Aldrich

Butyl cyanoacetate

95%

Linear Formula:
NCCH2CO2(CH2)3CH3
CAS Number:
Molecular Weight:
141.17
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22
Pricing and availability is not currently available.

Quality Level

assay

95%

refractive index

n20/D 1.425 (lit.)

bp

115 °C/15 mmHg (lit.)

density

0.993 g/mL at 25 °C (lit.)

SMILES string

CCCCOC(=O)CC#N

InChI

1S/C7H11NO2/c1-2-3-6-10-7(9)4-5-8/h2-4,6H2,1H3

InChI key

DJACTCNGCHPGOI-UHFFFAOYSA-N

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General description

tert-Butyl cyanoacetate undergoes alkylation with many substituted benzyl and heteroalyl alcohols to form the corressponding alpha-alkylated products.

Packaging

100 mL in glass bottle

Pictograms

Exclamation mark

Signal Word

Warning

Target Organs

Respiratory system

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

RIDADR

UN 3276 6.1 / PGIII

WGK Germany

WGK 3

Flash Point(F)

188.6 °F - closed cup

Flash Point(C)

87 °C - closed cup

Iridium catalysed alkylation of tert-butyl cyanoacetate with alcohols under solvent free conditions.
Tetrahedron, 65(4), 849-854 (2009)

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