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	n20/D 1.417(lit.)
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.