Learn More
Methyl isocyanoacetate, 95%
CAS: 39687-95-1 | C4H7NO2 | 101.11 g/mol
$70.62 - $197.71
Chemical Identifiers
| CAS | 39687-95-1 |
|---|---|
| Molecular Formula | C4H7NO2 |
| Molecular Weight (g/mol) | 101.11 |
| MDL Number | MFCD00000006 |
| InChI Key | ZRGVTTCCASYOFN-UHFFFAOYSA-N |
| Synonym | methyl isocyanoacetate, isocyanoacetic acid methyl ester, methylisocyanoacetate, isocyano-acetic acid methyl ester, acetic acid,2-isocyano-, methyl ester, methyl-isocyanoacetate, methyl isocyano-acetate, acmc-20akf8, methyl alpha-isocyanoacetate, ksc581o3d |
| PubChem CID | 547815 |
| IUPAC Name | methyl 2-isocyanoacetate |
| SMILES | COC(=O)CN=C |
| Catalog Number | Mfr. No. | Quantity | Price | Quantity | |||||
|---|---|---|---|---|---|---|---|---|---|
| Catalog Number | Mfr. No. | Quantity | Price | Quantity | |||||
|
AAH3106903
|
Thermo Scientific Chemicals
H3106903 |
1 g |
Each for $70.62
|
|
|||||
|
AAH3106906
|
Thermo Scientific Chemicals
H3106906 |
5 g |
Each for $197.71
|
|
|||||
Description
Methyl isocyanoacetate is used in the copper-catalyzed, diastereoselective synthesis of oxazolines. It is involved in the direct aldol reaction with carbonyl compounds to prepare corresponding oxazoline by using catechol-copper network catalyst. Further, it is also involved in four-component Ugi condensation reaction. It undergoes asymmetric aldol reaction with fluorinated benzaldehyde using gold(I) as a catalyst.
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.
ApplicationsMethyl isocyanoacetate is used in the copper-catalyzed, diastereoselective synthesis of oxazolines. It is involved in the direct aldol reaction with carbonyl compounds to prepare corresponding oxazoline by using catechol-copper network catalyst. Further, it is also involved in four-component Ugi condensation reaction. It undergoes asymmetric aldol reaction with fluorinated benzaldehyde using gold(I) as a catalyst.
Solubility
Miscible with organic solvents. Slightly miscible with water.
Notes
Light and moisture sensitive. Incompatible with strong oxidizing agents, strong bases, strong acids, hydrated iron(II) sulfate, heavy metals and aluminum. Store in a cool place. Keep the container tightly closed.
Chemical Identifiers
| 39687-95-1 | |
| 101.11 | |
| ZRGVTTCCASYOFN-UHFFFAOYSA-N | |
| 547815 | |
| COC(=O)CN=C |
| C4H7NO2 | |
| MFCD00000006 | |
| methyl isocyanoacetate, isocyanoacetic acid methyl ester, methylisocyanoacetate, isocyano-acetic acid methyl ester, acetic acid,2-isocyano-, methyl ester, methyl-isocyanoacetate, methyl isocyano-acetate, acmc-20akf8, methyl alpha-isocyanoacetate, ksc581o3d | |
| methyl 2-isocyanoacetate |
Specifications
| 39687-95-1 | |
| 75°C to 76°C (10 mmHg) | |
| C4H7NO2 | |
| MFCD00000006 | |
| UN2922 | |
| methyl isocyanoacetate, isocyanoacetic acid methyl ester, methylisocyanoacetate, isocyano-acetic acid methyl ester, acetic acid,2-isocyano-, methyl ester, methyl-isocyanoacetate, methyl isocyano-acetate, acmc-20akf8, methyl alpha-isocyanoacetate, ksc581o3d | |
| ZRGVTTCCASYOFN-UHFFFAOYSA-N | |
| methyl 2-isocyanoacetate | |
| 547815 | |
| 95% |
| 1.09 | |
| 84°C (183°F) | |
| CNCH2CO2CH3 | |
| 1 g | |
| Light sensitive | |
| Miscible with organic solvents. Slightly miscible with water. | |
| COC(=O)CN=C | |
| 101.11 | |
| 99.09 | |
| Methyl isocyanoacetate |
Safety and Handling
GHS H Statement
H331-H314-H318-H227-H302-H312
Toxic if inhaled.
Causes severe skin burns and eye damage.
Causes serious eye damage.
Combustible liquid.
Harmful if swallowed.
Harmful in contact with skin.
P210-P260-P264b-P270-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P331-P363-P370+P378q-P501c
H227-H302+H312+H332-H314
DOTInformation : Transport Hazard Class: 8; Packing Group: II; Proper Shipping Name: CORROSIVE LIQUIDS, TOXIC, N.O.S.
EINECSNumber : 254-593-8
TSCA : No
Recommended Storage : Keep cold; Store under Nitrogen
RUO – Research Use Only