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| | Methyl 5-bromo-6-chloropyridine-3-carboxylate Basic information |
| Product Name: | Methyl 5-bromo-6-chloropyridine-3-carboxylate | | Synonyms: | methyl 5-bromo-6-chloropyridine-3-carboxylate;5-BROMO-6-CHLORONICOTINIC ACID METHYL ESTER;Methyl 3-bromo-2-chloropyridine-5-carboxylate;Methyl 5-bromo-6-chloropyridine-3-carboxylate, Methyl 3-bromo-2-chloropyridine-5-carboxylate;3-Pyridinecarboxylic acid, 5-bromo-6-chloro-, methyl ester;Methyl 5-bromo-6-chloropyridine-3-carboxylate ISO 9001：2015 REACH;Methyl 5-bromo-6-chl;Methyl-5-bromo-6-chloronicotinic acid | | CAS: | 78686-77-8 | | MF: | C7H5BrClNO2 | | MW: | 250.48 | | EINECS: | | | Product Categories: | Esters;Pyridines;Pyridine;API intermediates | | Mol File: | 78686-77-8.mol |  |
| | Methyl 5-bromo-6-chloropyridine-3-carboxylate Chemical Properties |
| Melting point | 75-77°C | | Boiling point | 279.2±35.0 °C(Predicted) | | density | 1.684 | | refractive index | 1.568 | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | solubility | Chloroform (Slightly), Methanol (Slightly), Water (Slightly) | | form | Solid | | pka | -2.84±0.10(Predicted) | | color | White to Off-White | | InChI | InChI=1S/C7H5BrClNO2/c1-12-7(11)4-2-5(8)6(9)10-3-4/h2-3H,1H3 | | InChIKey | WINGWVOUOFMOJQ-UHFFFAOYSA-N | | SMILES | C1=NC(Cl)=C(Br)C=C1C(OC)=O | | CAS DataBase Reference | 78686-77-8 |
| Hazard Codes | Xi,Xn | | Risk Statements | 22 | | HazardClass | IRRITANT | | HS Code | 2933399990 |
| | Methyl 5-bromo-6-chloropyridine-3-carboxylate Usage And Synthesis |
| Uses | Methyl 5-Bromo-6-chloronicotinate can be used to treat diseases related to S1PR1. | | Synthesis | Step 1: Synthesis of methyl 5-bromo-6-chloronicotinate (61). A mixture of 5-bromo-6-chloronicotinic acid (60) (0.2 g, 0.84 mmol), potassium carbonate (K2CO3) (0.3 g, 2.1 mmol) and iodomethane (0.178 g, 1.2 mmol) in N,N-dimethylformamide (DMF) (10 mL) was stirred for 16 h at 0 °C and subsequently raised to room temperature. Upon completion of the reaction, the reaction mixture was diluted with water (20 mL) and extracted with ethyl acetate (EtOAc) (2 x 20 mL). The organic phases were combined and washed sequentially with saturated aqueous sodium bicarbonate (NaHCO3) (20 mL) and brine (2 x 20 mL), dried over anhydrous sodium sulfate (Na2SO4) and concentrated to afford the target product methyl 5-bromo-6-chloronicotinate (61) (0.2 g, 94.7% yield). | | References | [1] Patent: WO2017/4608, 2017, A1. Location in patent: Paragraph 0183 |
| | Methyl 5-bromo-6-chloropyridine-3-carboxylate Preparation Products And Raw materials |
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