531197

Ethyl 6-chloropyridine-3-carboxylate

97%

• Sinônimo(s): Ethyl 6-chloronicotinate
• Fórmula empírica (Notação de Hill): C₈H₈ClNO₂
• Número CAS: 49608-01-7
• Peso molecular: 185.61
• Número MDL: MFCD00082739
• Código UNSPSC: 12352100
• ID de substância PubChem: 24877807
• NACRES: NA.22

Propriedades

• Ensaio: 97%
• pf: 26-30 °C (lit.)
• grupo funcional: chloro; ester
• cadeia de caracteres SMILES: 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
• chave InChI: ILDJJTQWIZLGPO-UHFFFAOYSA-N

Descrição

Descrição geral

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.

Aplicação

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.

Informações de segurança

• Pictogramas: GHS07
• Palavra indicadora: Warning
• Frases de perigo: H315,H319
• Declarações de precaução: P264 - P280 - P302 + P352 - P305 + P351 + P338 - P332 + P313 - P337 + P313
• Classificações de perigo: Eye Irrit. 2 - Skin Irrit. 2
• Código de classe de armazenamento: 11 - Combustible Solids
• Classe de risco de água (WGK): WGK 3
• Ponto de fulgor (°F): 230.0 °F - closed cup
• Ponto de fulgor (°C): 110 °C - closed cup
• Equipamento de proteção individual: dust mask type N95 (US), Eyeshields, Gloves