METHYL 2,6-DICHLOROISONICOTINATE Chemical Properties

Melting point:

82 °C

Boiling point:

298℃

Density 

1.426

Flash point:

134℃

storage temp. 

Keep in dark place,Sealed in dry,Room Temperature

solubility 

Sparingly Soluble (0.13 g/L) (25°C)

pka

-4.32±0.10(Predicted)

form 

powder

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)

Safety Information

Hazard Codes 

Xi

WGK Germany 

3

HazardClass 

IRRITANT

HS Code 

2933399990

METHYL 2,6-DICHLOROISONICOTINATE Usage And Synthesis

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

METHYL 2,6-DICHLOROISONICOTINATE(42521-09-5)Related Product Information

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• Ethyl 2,6-dichloroisonicotinate
• [3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOL-4-YL]METHYL 2,6-DICHLOROISONICOTINATE
• 2-(2,4-DICHLOROPHENOXY)ETHYL 2,6-DICHLOROISONICOTINATE
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• 2-CHLORO-4-FLUOROPHENYL 2,6-DICHLOROISONICOTINATE
• (2,6-DICHLORO-4-PYRIDYL)METHYL 2,6-DICHLOROISONICOTINATE