Learn More
Ethyl isocyanoacetate, 98%
CAS: 2999-46-4 | C5H7NO2 | 113.12 g/mol
$67.60 - $697.30
Chemical Identifiers
| CAS | 2999-46-4 |
|---|---|
| Molecular Formula | C5H7NO2 |
| Molecular Weight (g/mol) | 113.12 |
| MDL Number | MFCD00000007 |
| InChI Key | FPULFENIJDPZBX-UHFFFAOYSA-N |
| Synonym | ethyl isocyanoacetate, isocyanoacetic acid ethyl ester, ethylisocyanoacetate, acetic acid, 2-isocyano-, ethyl ester, acetic acid, isocyano-, ethyl ester, ethyl iso-cyanoacetate, ethyl isocyano-acetate, pubchem2345, ethyl 2-isocyanoacetat |
| PubChem CID | 533707 |
| IUPAC Name | ethyl 2-isocyanoacetate |
| SMILES | CCOC(=O)C[N+]#[C-] |
| Catalog Number | Mfr. No. | Quantity | Price | Quantity | |||||
|---|---|---|---|---|---|---|---|---|---|
| Catalog Number | Mfr. No. | Quantity | Price | Quantity | |||||
|
AAL1537903
|
Thermo Scientific Chemicals
L1537903 |
1 g |
Each for $67.60
|
|
|||||
|
AAL1537906
|
Thermo Scientific Chemicals
L1537906 |
5 g |
Each for $208.30
|
|
|||||
|
AAL1537914
|
Thermo Scientific Chemicals
L1537914 |
25 g |
Each for $697.30
|
|
|||||
Description
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.
This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.
ApplicationsEthyl 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.
Solubility
Miscible with organic solvents. Slightly miscible with water.
Notes
Store in cool place. Moisture and light sensitive. Keep the container tightly closed in a dry and well-ventilated place. Incompatible with strong oxidizing agents and strong bases.
Chemical Identifiers
| 2999-46-4 | |
| 113.12 | |
| FPULFENIJDPZBX-UHFFFAOYSA-N | |
| 533707 | |
| CCOC(=O)C[N+]#[C-] |
| C5H7NO2 | |
| MFCD00000007 | |
| ethyl isocyanoacetate, isocyanoacetic acid ethyl ester, ethylisocyanoacetate, acetic acid, 2-isocyano-, ethyl ester, acetic acid, isocyano-, ethyl ester, ethyl iso-cyanoacetate, ethyl isocyano-acetate, pubchem2345, ethyl 2-isocyanoacetat | |
| ethyl 2-isocyanoacetate |
Specifications
| 2999-46-4 | |
| 194°C to 196°C | |
| C5H7NO2 | |
| MFCD00000007 | |
| UN2810 | |
| Light and moisture sensitive | |
| Miscible with organic solvents. Slightly miscible with water. | |
| CCOC(=O)C[N+]#[C-] | |
| 113.12 | |
| 113.12 | |
| Ethyl isocyanoacetate |
| 1.035 | |
| 84°C (183°F) | |
| 1.422 | |
| 1 g | |
| 3588613 | |
| ethyl isocyanoacetate, isocyanoacetic acid ethyl ester, ethylisocyanoacetate, acetic acid, 2-isocyano-, ethyl ester, acetic acid, isocyano-, ethyl ester, ethyl iso-cyanoacetate, ethyl isocyano-acetate, pubchem2345, ethyl 2-isocyanoacetat | |
| FPULFENIJDPZBX-UHFFFAOYSA-N | |
| ethyl 2-isocyanoacetate | |
| 533707 | |
| 98% |
Safety and Handling
GHS H Statement
H331-H227-H302-H312-H315-H319-H335
Toxic if inhaled.
Combustible liquid.
Harmful if swallowed.
Harmful in contact with skin.
Causes skin irritation.
Causes serious eye irritation.
May cause respiratory irritation.
P210-P235-P261-P264b-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P362-P370+P378q-P501c
H227-H302+H312+H332-H315-H319-H335
DOTInformation : Transport Hazard Class: 6.1; Packing Group: III; Proper Shipping Name: TOXIC, LIQUIDS, ORGANIC, N.O.S.
EINECSNumber : 221-077-9
TSCA : No
Recommended Storage : Keep cold
RUO – Research Use Only