Introduction：Basic information about Ethyl 6-chloronicotinate CAS 49608-01-7, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Ethyl 6-chloronicotinate Basic information
| Product Name: | Ethyl 6-chloronicotinate |
| Synonyms: | 3-Pyridinecarboxylic acid, 6-chloro-, ethyl ester;ETHYL 6-CHLORONICOTINATE[FOR TAZAROTENE];Ethyl 6-chloropyridine-3-carboxylate;ETHYL 2-CHLOROPYRIDINE-5-CARBOXYLATE;Ethyl 6-chloronicoti;2-Chloro-5-pyridinecarboxylicacid ethylester;Ethyl6-chloronicotinate,97%;Ethyl 2-chloropyridine-3-carboxylate, 6-Chloronicotinic acid ethyl ester |
| CAS: | 49608-01-7 |
| MF: | C8H8ClNO2 |
| MW: | 185.61 |
| EINECS: | 610-463-6 |
| Product Categories: | Building Blocks;C7 to C18;C8 to C9;Chemical Synthesis;Halogenated Heterocycles;Heterocyclic Building Blocks;Esters;Pyridines;Heterocycle-Pyridine series;carboxylic ester| alkyl chloride |
| Mol File: | 49608-01-7.mol |
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Ethyl 6-chloronicotinate Chemical Properties
| Melting point | 26-30 °C(lit.) |
| Boiling point | 98 °C |
| density | 1.245±0.06 g/cm3(Predicted) |
| refractive index | 1.522 |
| Fp | >230 °F |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| pka | -1.95±0.10(Predicted) |
| form | Solid |
| color | Colourless to Off-White Oil |
| BRN | 4742175 |
| InChI | 1S/C8H8ClNO2/c1-2-12-8(11)6-3-4-7(9)10-5-6/h3-5H,2H2,1H3 |
| InChIKey | ILDJJTQWIZLGPO-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1ccc(Cl)nc1 |
| CAS DataBase Reference | 49608-01-7(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| HS Code | 29339900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2 |
Ethyl 6-chloronicotinate Usage And Synthesis
| Chemical Properties | White to light yellow solid or colorless to yellow liquid |
| Uses | Ethyl 6-chloronicotinate is a nicotinic acid derivative used in the preparation of potent H3 receptor antagonists. |
| Uses | 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. |
| General Description | 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. |
Ethyl 6-chloronicotinate Preparation Products And Raw materials
| Preparation Products | 6-MORPHOLINONICOTINONITRILE-->Tazarotene-->6-MORPHOLINONICOTINOHYDRAZIDE-->(6-MORPHOLINO-3-PYRIDINYL)METHANOL-->[6-(1-PYRROLIDINYL)-3-PYRIDINYL]METHANOL-->Pyridine, 5-(bromomethyl)-2-chloro- (9CI)-->6-(1-Piperazinyl)-3-pyridinecarboxylic acid ethyl ester-->3-Pyridinecarboxaldehyde, 6-(2-methyl-1H-imidazol-1-yl)--->6-(3,3,3-Trifluoropropoxy)nicotinic acid |
