531197

6-氯吡啶-3-羧酸乙酯

97%

• 同義詞: 6-氯烟酸乙酯
• 經驗公式（希爾表示法）: C₈H₈ClNO₂
• CAS號碼: 49608-01-7
• 分子量：: 185.61
• MDL號碼: MFCD00082739
• 分類程式碼代碼: 12352100
• PubChem物質ID: 24877807
• NACRES: NA.22

屬性

• 化驗: 97%
• mp: 26-30 °C (lit.)
• 官能基: chloro; ester
• SMILES 字串: 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 密鑰: ILDJJTQWIZLGPO-UHFFFAOYSA-N

描述

一般說明

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.

應用

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.

安全資訊

• 象形圖: GHS07
• 訊號詞: Warning
• 危險聲明: H315,H319
• 防範說明: P264 - P280 - P302 + P352 - P305 + P351 + P338 - P332 + P313 - P337 + P313
• 危險分類: Eye Irrit. 2 - Skin Irrit. 2
• 儲存類別代碼: 11 - Combustible Solids
• 水污染物質分類（WGK）: WGK 3
• 閃點（°F）: 230.0 °F - closed cup
• 閃點（°C）: 110 °C - closed cup
• 個人防護裝備: dust mask type N95 (US), Eyeshields, Gloves