Identification | More | [Name]
METHYL 2,6-DICHLOROISONICOTINATE | [CAS]
42521-09-5 | [Synonyms]
Methyl 2,6-dichloroi METHYL 2,6-DICHLOROISONICOTINATE 6-dichloropyridine-4-carboxylate Methyl 2,6-dichloroisonicotinoate methyl 2,6-dichloropyridine-4-carboxylate Methyl 2,6-dichloro-4-pyridinecarboxylate 2,6-Dichloro-isonicotinic acid methyl ester Methyl 2,6-dichloropyridine-4-carboxylate 97% METHYL 2,6-DICHLORO-4-PYRIDINE-CARBOXYLIC ACID 2,6-CHLORO-4-PYRIDINECARBOXYLIC ACID METHYL ESTER 2,6-Dichloro-4-pyridinecarboxylic acid methyl ester 2,6-Dichloropyridine-4-carboxylic acid methyl ester METHYL 2,6-DICHLOROISONICOTINATE ISO 9001:2015 REACH 4-PYRIDINECARBOXYLIC ACID, 2,6-DICHLORO-, METHYL ESTER Methyl 2,6-dichloropyridine-4-carboxylate, 2,6-Dichloro-4-(methoxycarbonyl)pyridine | [EINECS(EC#)]
255-868-5 | [Molecular Formula]
C7H5Cl2NO2 | [MDL Number]
MFCD00044409 | [Molecular Weight]
206.03 | [MOL File]
42521-09-5.mol |
Chemical Properties | Back Directory | [Melting point ]
82 °C | [Boiling point ]
298℃ | [density ]
1.426 | [Fp ]
134℃ | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
Sparingly Soluble (0.13 g/L) (25°C) | [form ]
powder | [pka]
-4.32±0.10(Predicted) | [color ]
White | [InChI]
InChI=1S/C7H5Cl2NO2/c1-12-7(11)4-2-5(8)10-6(9)3-4/h2-3H,1H3 | [InChIKey]
XSKGHSUHOYEBTK-UHFFFAOYSA-N | [SMILES]
C1(Cl)=NC(Cl)=CC(C(OC)=O)=C1 | [CAS DataBase Reference]
42521-09-5(CAS DataBase Reference) |
Hazard Information | Back Directory | [Uses]
It is used as pharmaceutical intermediates. | [Synthesis]
Step I. Preparation of methyl 2,6-dichloroisonicotinate
A mixed solution of 187 g (0.974 mol) of 2,6-dichloroisonicotinic acid, 1650 ml of methanol and 5 ml of concentrated sulfuric acid was heated and refluxed for 24 hours. After completion of the reaction, most of the solvent was evaporated under reduced pressure to give the crude product. The crude product was dissolved in 750 ml of dichloromethane and washed sequentially with water and 1N sodium hydroxide solution. The organic layer was separated and dried with anhydrous sodium sulfate, followed by evaporation of the solvent under reduced pressure to give 174 g (86.7% yield) of methyl 2,6-dichloroisonicotinate with a melting point of 205 °C. | [References]
[1] Patent: US4474602, 1984, A |
|
|