531197

Ethyl 6-chloropyridine-3-carboxylate

97%

• 동의어(들): Ethyl 6-chloronicotinate
• 실험식(Hill 표기법): C₈H₈ClNO₂
• CAS Number: 49608-01-7
• Molecular Weight: 185.61
• MDL number: MFCD00082739
• UNSPSC 코드: 12352100
• PubChem Substance ID: 24877807
• NACRES: NA.22

속성

• 분석: 97%
• mp: 26-30 °C (lit.)
• 작용기: 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
• InChI key: ILDJJTQWIZLGPO-UHFFFAOYSA-N

설명

일반 설명

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.

애플리케이션

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.

안전성 정보

• 픽토그램: GHS07
• 신호어: Warning
• 유해 및 위험 성명서: H315,H319
• 예방조치 성명서: P264 - P280 - P302 + P352 - P305 + P351 + P338 - P332 + P313 - P337 + P313
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point (°F): 230.0 °F - closed cup
• Flash Point (°C): 110 °C - closed cup
• 개인 보호 장비: dust mask type N95 (US), Eyeshields, Gloves