ETHYL ISONICOTINOYLACETATE Chemical Properties

Melting point:

53-59 °C

Boiling point:

169°C/4mmHg(lit.)

Density 

1.155

refractive index 

1.5100

storage temp. 

Inert atmosphere,Room Temperature

solubility 

soluble in Methanol

pka

8.61±0.25(Predicted)

form 

Solid

color 

Pale brown

InChI

InChI=1S/C10H11NO3/c1-2-14-10(13)7-9(12)8-3-5-11-6-4-8/h3-6H,2,7H2,1H3

InChIKey

PCJNYGPKMQQCPX-UHFFFAOYSA-N

SMILES

C1(C=CN=CC=1)C(=O)CC(=O)OCC

CAS DataBase Reference

26377-17-3(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Safety Statements 

24/25

Hazard Note 

Irritant

HS Code 

29333990

MSDS

• Language:English Provider:ACROS

ETHYL ISONICOTINOYLACETATE Usage And Synthesis

Chemical Properties

off-white to yellow-brown crystalline powder

Synthesis

GENERAL METHOD: Lithium bis(trimethylsilyl)amide (LiHMDS, 30 mmol) was rapidly added to a mixed solution of tetrahydrofuran (THF, 20 mL) and ethyl acetate (70 mmol) of ethyl isonicotinate (10 mmol) at -40°C, maintained at this temperature and stirred for 20 minutes. Upon completion of the reaction, the reaction mixture was quenched with acetic acid (50 mmol) and subsequently alkalized with 10% sodium bicarbonate (NaHCO3) solution. The reaction mixture was extracted with ethyl acetate (2 x 100 mL) and the organic layers were combined and washed sequentially with water and saturated saline. The organic layer was dried with anhydrous sodium sulfate (Na2SO4). Specific purification steps and characterization data are included for each compound.

References

[1] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 12, p. 4193 - 4197

ETHYL ISONICOTINOYLACETATE(26377-17-3)Related Product Information

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