产品说明
一般描述
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.
应用
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.
包装
25 g in glass bottle
基本信息
| 经验(实验)分子式 | C8H8ClNO2 |
| 分子量 | 185.61 |
| MDL编号 | MFCD00082739 |
| PubChem化学物质编号 | 24877807 |
| NACRES | NA.22 |
产品性质
| 测定 | 97% |
| mp | 26-30 ℃ (lit.) |
| 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 |
安全信息
| 象形图 |  |
| 警示用语： | Warning |
| 危险声明 | H315 - H319 |
| 预防措施声明 | P302 + P352 - P305 + P351 + P338 |
| 危险分类 | Eye Irrit. 2 - Skin Irrit. 2 |
| 储存分类代码 | 11 - Combustible Solids |
| WGK | WGK 3 |
| 闪点(F) | 230.0 °F - closed cup |
| 闪点(C) | 110 ℃ - closed cup |
| 个人防护装备 | dust mask type N95 (US), Eyeshields, Gloves |
Sigma-Aldrich
m.cnreagent.com
