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n-Butyl cyanoacetate

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n-Butyl cyanoacetate Basic information

Product Name:
n-Butyl cyanoacetate
Synonyms:
  • n-Butyl cyanoacetate, 99+%
  • AButyl cyanoacetate
  • Butyl 2-cyanoacetate
  • n-Butyl a-cyanoacetate
  • 2-Cyanoacetic acid butyl ester
  • Butyl cyanoacetate, 99%+
  • Butyl cyanoacetate 95%
  • Acetic acid, cyano-, butyl ester
CAS:
5459-58-5
MF:
C7H11NO2
MW:
141.17
EINECS:
226-730-1
Product Categories:
  • Building Blocks
  • C6 to C7
  • C6 to C7
  • Carbonyl Compounds
  • Chemical Synthesis
  • Organic Building Blocks
  • Carbonyl Compounds
  • Esters
Mol File:
5459-58-5.mol
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n-Butyl cyanoacetate Chemical Properties

Boiling point:
230.7 °C
Density 
1
refractive index 
n20/D 1.425(lit.)
Flash point:
189 °F
storage temp. 
2-8°C
form 
clear liquid
pka
3.06±0.10(Predicted)
color 
APHA: ≤60
Water Solubility 
IMMISCIBLE
InChIKey
DJACTCNGCHPGOI-UHFFFAOYSA-N
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)
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Safety Information

Hazard Codes 
Xn
Risk Statements 
20/21/22-36/37/38
Safety Statements 
26-27-36/37/39
RIDADR 
UN 3276 6.1/PG 3
WGK Germany 
3
RTECS 
AG3692500
PackingGroup 
III
HS Code 
29269090

MSDS

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n-Butyl cyanoacetate Usage And Synthesis

Chemical Properties

Clear liquid

Uses

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%).

n-Butyl cyanoacetate Preparation Products And Raw materials

Preparation Products

Raw materials

n-Butyl cyanoacetateSupplier

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