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  6. Methyl isocyanoacetate, 95%

Methyl isocyanoacetate, 95%

Product Code. 15424037
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Product Code. 15424037 Supplier Thermo Scientific Alfa Aesar Supplier No. H31069.06
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Description

CAS: 39687-95-1 | C4H7NO2 | 101.11 g/mol

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.

Applications
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.

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.
TRUSTED_SUSTAINABILITY

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

Specifications

Density 1.09
Boiling Point 75°C to 76°C (10 mmHg)
Flash Point 84°C (183°F)
Linear Formula CNCH2CO2CH3
Quantity 5 g
UN Number UN2922
Sensitivity Light sensitive
Solubility Information Miscible with organic solvents. Slightly miscible with water.
Formula Weight 99.09
Percent Purity 95%
Chemical Name or Material Methyl isocyanoacetate
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