531197

Ethyl-6-chlorpyridin-3-carboxylat

97%

• Synonym(e): 6-Chlornicotinsäure-ethylester
• Empirische Formel (Hill-System): C₈H₈ClNO₂
• CAS-Nummer: 49608-01-7
• Molekulargewicht: 185.61
• MDL-Nummer: MFCD00082739
• UNSPSC-Code: 12352100
• PubChem Substanz-ID: 24877807
• NACRES: NA.22

Eigenschaften

• Assay: 97%
• mp (Schmelzpunkt): 26-30 °C (lit.)
• Funktionelle Gruppe: chloro; ester
• SMILES String: CCOC(=O)c1ccc(Cl)nc1
• InChI: 1S/C8H8ClNO2/c1-2-12-8(11)6-3-4-7(9)10-5-6/h3-5H,2H2,1H3
• InChIKey: ILDJJTQWIZLGPO-UHFFFAOYSA-N

Beschreibung

Allgemeine Beschreibung

Ethyl 6-chloropyridine-3-carboxylate (Ethyl-6-chloronicotinate, E-6-ClN) undergoes direct amidation on reacting with benzylamine in the presence lanthanum trifluoromethanesulfonate La(OTf)3. The structural and physicochemical properties of E-6-ClN have been investigated based on its spectroscopic data, time-dependent density functional theory and density of state diagrams.

Anwendung

Ethyl 6-chloropyridine-3-carboxylate (Ethyl 6-chloronicotinate) may be used in the preparation of ethyl 5-{[5-(1H-benzimidazol-2-yl)pyridin-2-yl]ethynyl}pyridine-2-carboxylate by reacting with 2-[6-(ethynyl)pyridin-3-yl]-1H-benzimidazole under microwave irradiation.

Sicherheitshinweise

• Piktogramme: GHS07
• Signalwort: Warning
• H-Sätze: H315,H319
• P-Sätze: P264 - P280 - P302 + P352 - P305 + P351 + P338 - P332 + P313 - P337 + P313
• Gefahreneinstufungen: Eye Irrit. 2 - Skin Irrit. 2
• Lagerklassenschlüssel: 11 - Combustible Solids
• WGK: WGK 3
• Flammpunkt (°F): 230.0 °F - closed cup
• Flammpunkt (°C): 110 °C - closed cup
• Persönliche Schutzausrüstung: dust mask type N95 (US), Eyeshields, Gloves