Ethyl isocyanoacetate
- CAS NO.:2999-46-4
- Empirical Formula: C5H7NO2
- Molecular Weight: 113.11
- MDL number: MFCD00000007
- EINECS: 221-077-9
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-01-27 09:38:02

What is Ethyl isocyanoacetate?
Chemical properties
Light yellow to brom liquid. Slightly soluble in water and lye, miscible in ethanol and ether.
The Uses of Ethyl isocyanoacetate
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.
The Uses of Ethyl isocyanoacetate
Ethyl 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.
What are the applications of Application
Ethyl isocyanoacetate is a cyclization synthon used to prepare a variety of compounds
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).
General Description
Material may darken upon storage
Properties of Ethyl isocyanoacetate
Boiling point: | 194-196 °C (lit.) |
Density | 1.035 g/mL at 25 °C (lit.) |
vapor pressure | 61.7Pa at 25℃ |
refractive index | n |
Flash point: | 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 limits | NIOSH: IDLH 25 mg/m3 |
CAS DataBase Reference | 2999-46-4(CAS DataBase Reference) |
Safety information for Ethyl isocyanoacetate
Signal word | Warning |
Pictogram(s) |
![]() Exclamation Mark Irritant GHS07 |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P271:Use only outdoors or in a well-ventilated area. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
Computed Descriptors for Ethyl isocyanoacetate
Ethyl isocyanoacetate manufacturer
Vijaya Pharma And Life Science
Aion Pharma LLP
New Products
Cycloleucine 1-Amino-1-cyclohexanecarboxylic acid 6-Bromo-3-iodo-1-methyl-1H-indazole 3-(2,4-Dimethoxybenzyl)dihydropyrimidine-2,4(1H,3H)-dione 7-Bromo-1H-indazole ELECTROLYTIC IRON POWDER 1-(2-Ethoxyethyl)-2-(piperidin-4-yl)-1H-benzo[d]imidazole hydrochloride Decanonitrile tert-butyl 4-(1H-benzo[d]iMidazol-2-yl)piperidine-1-carboxylate N,N'-diallyl-1,3-diaminopropanedihydrochloride 4-Ethylbenzylamine N-(5-Amino-2-methylphenyl)acetamide 4-bromo-3,5-dimethylbenzenesulfonyl chloride 5-Bromo-2,3-dimethoxypyridine 2-Chloro-3-nitropyridine 2-methoxy-4-methyl-5-nitro pyridine 2-iodo-5-bromo pyridine methyl 6-chloro-2-(chloromethyl)nicotinate 2-amino-4-methyl-5-nitro pyridine 5-Fluoro-2-Oxindole (9H-fluoren-9-yl)methyl carbonochloridate 2-methyl-5-nitroaniline Diethyl phosphite 8-hydroxy-2,2,14,14-tetramethylpentadecanedioic acidRelated products of tetrahydrofuran








You may like
-
2999-46-4 Ethyl isocyanoacetate 98%View Details
2999-46-4 -
2999-46-4 98%View Details
2999-46-4 -
Ethyl isocyanoacetate CAS 2999-46-4View Details
2999-46-4 -
Ethyl Isocyanoacetate CAS 2999-46-4View Details
2999-46-4 -
2999-46-4 Ethyl isocyanoacetate 98%View Details
2999-46-4 -
Ethyl isocyanoacetate 98%View Details
2999-46-4 -
Ethyl isocyanoacetate 98% CAS 2999-46-4View Details
2999-46-4 -
Ethyl isocyanoacetate CAS 2999-46-4View Details
2999-46-4