E18425

Ethyl cyanoacetate

≥98%

• Synonym(s): (Ethoxycarbonyl)acetonitrile, 2-Cyanoacetic acid ethyl ester, 3-Ethoxy-3-oxopropanenitrile, Cyanoacetic acid ethyl ester, Cyanoacetic ester, Ethyl α-cyanoacetate, Ethyl 2-cyanoacetate, Ethyl cyanacetate, Malonic acid ethyl ester nitrile
• Linear Formula: NCCH₂COOC₂H₅
• CAS Number: 105-56-6
• Molecular Weight: 113.11
• Beilstein/REAXYS Number: 605871
• EC Number: 203-309-0
• MDL number: MFCD00001940
• UNSPSC Code: 12352100
• PubChem Substance ID: 24894436
• NACRES: NA.22

Properties

• vapor density: 3.9 (vs air)
• Quality Level: 200
• vapor pressure: 1 mmHg ( 67.8 °C)
• assay: ≥98%
• form: liquid
• refractive index: n20/D 1.418 (lit.)
• bp: 208-210 °C (lit.)
• mp: −22 °C (lit.)
• density: 1.063 g/mL at 25 °C (lit.)
• SMILES string: CCOC(=O)CC#N
• InChI: 1S/C5H7NO2/c1-2-8-5(7)3-4-6/h2-3H2,1H3
• InChI key: ZIUSEGSNTOUIPT-UHFFFAOYSA-N

Description

General description

Ethyl cyanoacetate is an ester. Knoevenagel condensation of ethyl cyanoacetate with aldehyde is reported. Microwave enhanced Knoevenegal condensation reaction of ethyl cyanoacetate with an aldehyde, P₂O₅, piperidine and chlorobenzene is reported.

Ethyl cyanoacetate is widely used as a building block in organic synthesis to produce active pharmaceutical ingredients.

Application

Ethyl cyanoacetate may be used in the synthesis of ethyl glyoxylate. It was used to investigate the Knoevenagel condensation reactions in microreactor using zeolite catalysts obtained by grafting amino groups onto NaX and CsNaX zeolites.

Packaging

Packaged in glass bottles

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H319
• pcodes: P264 - P280 - P305 + P351 + P338 - P337 + P313
• Hazard Classifications: Eye Irrit. 2
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 1
• flash_point_f: 230.0 °F
• flash_point_c: 110 °C
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter