Methyl isocyanoacetate
- CAS NO.：39687-95-1
- Empirical Formula: C4H5NO2
- Molecular Weight: 99.09
- MDL number: MFCD00000006
- EINECS: 254-593-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-09-12 18:48:28
What is Methyl isocyanoacetate?
Chemical properties
CLEAR YELLOW TO BROWN LIQUID
The Uses of Methyl isocyanoacetate
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.
The Uses of Methyl isocyanoacetate
Methyl isocyanoacetate has been used in the copper-catalyzed, diastereoselective synthesis of oxazolines.
General Description
Methyl isocyanoacetate undergoes direct aldol reaction with carbonyl compounds in the presence of solid-phase catechol-copper network catalyst to yield corresponding oxazolines. It also participates in four-component Ugi condensation reaction.
Properties of Methyl isocyanoacetate
| Boiling point: | 75-76 °C10 mm Hg(lit.) |
| Density | 1.09 g/mL at 25 °C(lit.) |
| refractive index | n |
| Flash point: | 193 °F |
| storage temp. | 2-8°C |
| solubility | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| form | Liquid |
| color | Clear yellow to brown |
| Water Solubility | Miscible with organic solvents. Slightly miscible with water. |
| BRN | 3537963 |
| CAS DataBase Reference | 39687-95-1(CAS DataBase Reference) |
Safety information for Methyl isocyanoacetate
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H314:Skin corrosion/irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for Methyl isocyanoacetate
Methyl isocyanoacetate manufacturer
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