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| | 3-Chloroisonicotinic acid Basic information |
| Product Name: | 3-Chloroisonicotinic acid | | Synonyms: | 3-CHLOROISONICOTINIC ACID;3-CHLORO-4-PYRIDINECARBOXYLIC ACID;3-Chloro-4-pyridine carboxlic acid;3-Chloro-4-pyridinecarboxylic acid, 3-Chloroisonicotinic acid;4-Pyridinecarboxylic acid, 3-chloro-;3-Chloropyridine-4-carboxylic acid, 4-Carboxy-3-chloropyridine;3- chlorineisonicotinic acid;3-Chloropyridine-4-carboxylic acid 97% | | CAS: | 88912-27-0 | | MF: | C6H4ClNO2 | | MW: | 157.55 | | EINECS: | | | Product Categories: | Pyridines;Pyridine;pharmacetical;Building Blocks;Carboxy | | Mol File: | 88912-27-0.mol |  |
| | 3-Chloroisonicotinic acid Chemical Properties |
| Melting point | 227-231 °C (dec.)(lit.) | | Boiling point | 387.0±22.0 °C(Predicted) | | density | 1.470±0.06 g/cm3(Predicted) | | storage temp. | Inert atmosphere,Room Temperature | | pka | 0.12±0.25(Predicted) | | form | Solution | | color | Brown to dark green to black | | InChI | 1S/C6H4ClNO2/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,(H,9,10) | | InChIKey | MYAZXWFEMDJTFE-UHFFFAOYSA-N | | SMILES | OC(=O)c1ccncc1Cl | | CAS DataBase Reference | 88912-27-0(CAS DataBase Reference) |
| Hazard Codes | Xn,Xi | | Risk Statements | 22 | | Safety Statements | 36 | | WGK Germany | 3 | | HazardClass | IRRITANT | | HS Code | 29333999 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral |
| | 3-Chloroisonicotinic acid Usage And Synthesis |
| Synthesis | A. Synthesis of 3-chloro-N-(4-chlorophenyl)pyridine-4-carboxamide. At -78 °C, 3-chloropyridine (1.00 mL, 10.5 mmol) was dissolved in THF and a freshly prepared lithium diisopropylammonium THF solution [prepared by the reaction of butyl lithium (7.21 mL, 11.5 mmol) with diisopropylamine (11.5 mmol)] was slowly added. After 0.25 h of reaction, carbon dioxide gas was passed into the mixture and slowly warmed to room temperature. After completion of the reaction, the mixture was concentrated and subsequently partitioned between EtOAc and water. The aqueous layer was washed twice with EtOAc. The pH of the aqueous layer was adjusted to about 3 by adding 1N HCl and extracted three more times with EtOAc. The organic phases were combined, dried with magnesium sulfate and concentrated. The residue was recrystallized by EtOAc to give 200 mg (12% yield) of 3-chloroisonicotinic acid. | | References | [1] Patent: US6610704, 2003, B1 |
| | 3-Chloroisonicotinic acid Preparation Products And Raw materials |
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