226319

Ethyl isocyanoacetate

95%

• Synonym(s): α-Isocyanoacetic acid ethyl ester, (Ethoxycarbonyl)methyl isonitrile, 2-Ethoxy-2-oxoethyl isocyanide, 2-Ethyloxycarbonylmethyl isocyanide, Ethoxycarbonylmethyl isocyanide, Ethyl α-isocyanoacetate, Ethyl 2-isocyanoacetate, Isocyanoacetic acid ethyl ester
• Linear Formula: CNCH₂COOCH₂CH₃
• CAS Number: 2999-46-4
• Molecular Weight: 113.11
• Beilstein/REAXYS Number: 3588613
• EC Number: 221-077-9
• MDL number: MFCD00000007
• UNSPSC Code: 12352100
• PubChem Substance ID: 24853557
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 95%
• form: liquid
• refractive index: n20/D 1.418 (lit.)
• bp: 194-196 °C (lit.)
• density: 1.035 g/mL at 25 °C (lit.)
• functional group: amine; ester; isonitrile
• storage temp.: 2-8°C
• SMILES string: CCOC(=O)C[N+]#[C-]
• InChI: 1S/C5H7NO2/c1-3-8-5(7)4-6-2/h3-4H2,1H3
• InChI key: FPULFENIJDPZBX-UHFFFAOYSA-N

Description

General description

Ethyl isocyanoacetate is an isocyanide ester that serves as a building block for the production of heterocycles.

Application

Ethyl isocyanoacetate was used in the synthesis of 7-aza-tetrahydroindoles. It was also used to prepare pyrroles, oxazolines, benzodiazepines, oxazoles and imidazoles.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302 + H332
• pcodes: P261 - P264 - P271 - P301 + P312 - P304 + P340 + P312 - P501
• Hazard Classifications: Acute Tox. 4 Inhalation - Acute Tox. 4 Oral
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 183.2 °F - closed cup
• flash_point_c: 84 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter