n-Butyl cyanoacetate
- CAS NO.:5459-58-5
- Empirical Formula: C7H11NO2
- Molecular Weight: 141.17
- MDL number: MFCD00001941
- EINECS: 226-730-1
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-06 16:32:36
What is n-Butyl cyanoacetate?
Chemical properties
Clear liquid
The Uses of n-Butyl cyanoacetate
Butyl cyanoacetate is used as intermediate for numerous organic syntheses, e.g. alpha-cyanoacrylic adhesives. Product Data Sheet
General Description
tert-Butyl cyanoacetate undergoes alkylation with many substituted benzyl and heteroalyl alcohols to form the corressponding alpha-alkylated products.
Synthesis
To a well-stirred mixture of cyano acid (80 mmol) in alcohol (90 mmol), and acetonitrile (162 mmol) , added sulfuric acid (98%, 94 mmol, 5 mL) at room temperature and temperature maintained between 80-85°C for 16-18h. The reaction mixture was cooled and added to 20% sodium carbonate solution (100 mL). The reaction mass was extracted in CH2Cl2 (50 mL × 2). The combined organic layer was washed with water (100 mL), dried over sodium sufate, and concentrated under reduced pressure to obtain n-Butyl cyanoacetate (85-95%).
Properties of n-Butyl cyanoacetate
Boiling point: | 230.7 °C |
Density | 1 |
refractive index | n |
Flash point: | 189 °F |
storage temp. | 2-8°C |
form | clear liquid |
pka | 3.06±0.10(Predicted) |
color | APHA: ≤60 |
Water Solubility | IMMISCIBLE |
CAS DataBase Reference | 5459-58-5(CAS DataBase Reference) |
NIST Chemistry Reference | n-Butyl cyanoacetate(5459-58-5) |
EPA Substance Registry System | Acetic acid, cyano-, butyl ester (5459-58-5) |
Safety information for n-Butyl cyanoacetate
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for n-Butyl cyanoacetate
InChIKey | DJACTCNGCHPGOI-UHFFFAOYSA-N |
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