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Ethyl isocyanoacetate

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CAS:2999-46-4
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CAS:2999-46-4
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Ethyl isocyanoacetate manufacturers

  • Ethyl isocyanoacetate
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  • 2023-08-31
  • CAS:2999-46-4
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  • Purity: 99
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  • Ethyl isocyanoacetate
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  • $10.00 / 1kg
  • 2023-02-21
  • CAS:2999-46-4
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  • Purity: 99%
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  • 2023-01-31
  • CAS:2999-46-4
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Ethyl isocyanoacetate Basic information
Product Name:Ethyl isocyanoacetate
Synonyms:Acetic acid, isocyano-, ethyl ester;Ethylisocyanoacetate,98%;(2-Oxo-2-ethoxyethyl) isocyanide;Ethoxycarbonylmethyl isocyanide;ethyl isocyanzacetate;Ethyl isocyanoacetate,97%;Ethyl isocyanoacetate,99+%;ethyl forMylaMinoacetate
CAS:2999-46-4
MF:C5H7NO2
MW:113.11
EINECS:221-077-9
Product Categories:Building Blocks;Chemical Synthesis;Nitrogen Compounds;Organic Building Blocks;fine chemicals, specialty chemicals, intermediates, electronic chemical, organic synthesis;straight chain compounds;pharmacetical;Naphthyridine,Quinoline;Isocyanides;Nitrogen Compounds;Organic Building Blocks
Mol File:2999-46-4.mol
Ethyl isocyanoacetate Structure
Ethyl isocyanoacetate Chemical Properties
Boiling point 194-196 °C (lit.)
density 1.035 g/mL at 25 °C (lit.)
vapor pressure 61.7Pa at 25℃
refractive index n20/D 1.418(lit.)
Fp 184 °F
storage temp. 2-8°C
solubility Chloroform, Methanol (Slightly)
form Liquid
color Clear amber to dark brown
Water Solubility Miscible with organic solvents. Slightly miscible with water.
Sensitive Moisture & Light Sensitive
BRN 3588613
Exposure limitsNIOSH: IDLH 25 mg/m3
LogP0.91 at 25℃
CAS DataBase Reference2999-46-4(CAS DataBase Reference)
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 Information
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Ethyl isocyanoacetate English
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Ethyl isocyanoacetate Usage And Synthesis
Chemical PropertiesLight yellow to brom liquid. Slightly soluble in water and lye, miscible in ethanol and ether.
UsesEthyl 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.
UsesEthyl isocyanoacetate is used in the syntheses of 7-aza-tetrahydroindoles, oxazolines, benzodiazepines, imidazoles and oxazoles. For example, it is involved in the synthesis of 1H-indole-2-carboxylate by condensing with 2-bromo benzenealdehyde using CuI as a catalyst. It is a precursor used in the preparation of ethyl thiazole-4-carboxylate upon reaction with O-ethyl thioformate.
Preparationsynthesis 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).
General DescriptionMaterial may darken upon storage
Tag:Ethyl isocyanoacetate(2999-46-4) Related Product Information
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