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Ethyl isocyanoacetate

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Ethyl isocyanoacetate Basic information

Product Name:
Ethyl isocyanoacetate
Synonyms:
  • Acetic acid, isocyano-, ethyl ester
  • Ethylisocyanoacetate,98%
  • Isocyanoacetate
  • ethyl isocyanoacetate 2999-46-4
  • (2-Oxo-2-ethoxyethyl) isocyanide
  • 2-Oxo-2-ethoxyethyl isocyanide
  • Ethoxycarbonylmethyl isocyanide
  • Ethyl 2-isocyanoacetate
CAS:
2999-46-4
MF:
C5H7NO2
MW:
113.11
EINECS:
221-077-9
Product Categories:
  • Building Blocks
  • Chemical Synthesis
  • straight chain compounds
  • fine chemicals, specialty chemicals, intermediates, electronic chemical, organic synthesis
  • Nitrogen Compounds
  • Organic Building Blocks
  • pharmacetical
  • Naphthyridine,Quinoline
  • Isocyanides
  • Nitrogen Compounds
  • Organic Building Blocks
Mol File:
2999-46-4.mol
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Ethyl isocyanoacetate Chemical Properties

Boiling point:
194-196 °C (lit.)
Density 
1.035 g/mL at 25 °C (lit.)
refractive index 
n20/D 1.418(lit.)
Flash point:
184 °F
storage temp. 
2-8°C
form 
Liquid
color 
Clear amber to dark brown
Water Solubility 
Miscible with organic solvents. Slightly miscible with water.
Sensitive 
Moisture & Light Sensitive
BRN 
3588613
CAS DataBase Reference
2999-46-4(CAS DataBase Reference)
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Safety Information

Hazard Codes 
Xn
Risk Statements 
20/22-20/21/22
Safety Statements 
36/37/39-26-36/37-24/25
RIDADR 
UN 2810 6.1/PG 3
WGK Germany 
3
8-9-21
HazardClass 
6.1
PackingGroup 
III
HS Code 
29299090

MSDS

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Ethyl isocyanoacetate Usage And Synthesis

Chemical Properties

Light yellow to brom liquid

Uses

Ethyl Isocyanoacetate, is a cyclization synthon used to prepare pyrroles, oxazolines, benzodiazepines, oxazoles and imidazoles. Ethyl isocyanoacetate can be used to prepare pyrroles,1,2 oxazolines, benzodiazepines, oxazoles and imidazoles.

Preparation

synthesis of ethyl isocyanoacetate
A solution containing N-formyl glycine ethyl ester (1, 1.31 g, 10 mmol), DIPEA (2.62 g, 20 mmol) and DMAP (0.45 g, 3 mmol) in dry DCM (10 mL) was loaded in a sample loop and combined with a second stream containing triphosgene (2, 0.98 g, 3.3 mmol) also dissolved in dry DCM (10 mL) at individual channel flow rates of 0.5 mL/min. The combined stream was directed into two linked 10 mL FEP reactor vessels to achieve a 20 minutes residence time at ambient temperature. The output was collect and the solvent was carefully evaporated to 80% of its total volume. The crude material was filtered through silica (5 g) and washed with DCM (2 × 10 mL) to obtain the salt-free product. The desired product 3 was obtained as dark yellow oil after evaporation of the organic phase (1.03 g, 91 % isolated yield, >97% purity by 1H NMR).

Ethyl isocyanoacetate Preparation Products And Raw materials

Preparation Products

Ethyl isocyanoacetateSupplier

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