238880

Methyl isocyanoacetate

technical grade, 95%

• Linear Formula: CNCH₂COOCH₃
• CAS Number: 39687-95-1
• Molecular Weight: 99.09
• Beilstein: 3537963
• EC Number: 254-593-8
• MDL number: MFCD00000006
• UNSPSC Code: 12352100
• PubChem Substance ID: 24854350
• NACRES: NA.22

Properties

• grade: technical grade
• Quality Level: 100
• Assay: 95%
• form: liquid
• refractive index: n20/D 1.417 (lit.)
• bp: 75-76 °C/10 mmHg (lit.)
• density: 1.09 g/mL at 25 °C (lit.)
• functional group: amine; ester; isonitrile
• storage temp.: 2-8°C
• SMILES string: COC(=O)C[N+]#[C-]
• InChI: 1S/C4H5NO2/c1-5-3-4(6)7-2/h3H2,2H3
• InChI key: CRXFROMHHBMNAB-UHFFFAOYSA-N

Description

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.

Application

Methyl isocyanoacetate has been used in the copper-catalyzed, diastereoselective synthesis of oxazolines.

Safety Information

• Pictograms: GHS05,GHS07
• Signal Word: Danger
• Hazard Statements: H302 + H312 + H332,H314
• Precautionary Statements: P261 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1 - Skin Corr. 1B
• Storage Class Code: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• WGK: WGK 3
• Flash Point(F): 183.2 °F - closed cup
• Flash Point(C): 84 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves