1-PYRIDIN-2-YL-PROPAN-2-ONE Chemical Properties

Boiling point:

175-180℃ (2.50 Torr)

Density 

1.046±0.06 g/cm3 (20℃ 760 Torr)

refractive index 

1.5310 (589.3 nm 20℃)

Flash point:

85.7±27.8℃

storage temp. 

Inert atmosphere,Room Temperature

solubility 

Chloroform (Sparingly), DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)

form 

Oil

pka

4.20±0.12(Predicted)

color 

Orange to Very Dark Red

InChI

InChI=1S/C8H9NO/c1-7(10)6-8-4-2-3-5-9-8/h2-5H,6H2,1H3

InChIKey

TZTXTIBZSSSFDI-UHFFFAOYSA-N

SMILES

C(C1=NC=CC=C1)C(=O)C

Safety Information

Hazard Codes 

Xn

Risk Statements 

22-37/38-41

Safety Statements 

26-39

HazardClass 

IRRITANT

HS Code 

2933399990

1-PYRIDIN-2-YL-PROPAN-2-ONE Usage And Synthesis

Uses

1-Pyridin-2-yl-propan-2-one is an antimicrobial bioactive compound extracted from Lactarius vellereus fermenting liquor.

Synthesis

General procedure for the synthesis of 1-pyridin-2-yl-propan-2-one from 2-methylpyridine and acetonitrile: The compound was synthesized in 61% yield as a yellow, slightly air-sensitive oil (boiling point 67 °C, 0.5 mbar) using a method disclosed in 1962. [7] Since spectral data were not reported in the original literature, the following is added for reference: 1H NMR (300 MHz, (CD3)2SO, 298 K): δ= 2.13 (s, 3H, CH3), 3.91 (s, 2H, CH2), 7.28 (m, 2H, pyridine-H), 7.74 (m, 1H, pyridine-H), 8.47 (d, 1H pyridine-H) ppm. 13C NMR (75MHz, (CD3)2SO, 298K): δ= 30.0 (CH3), 52.3 (CH2); 121.9, 124.4, 136.6, 149.2, 155.4 (pyridine-C), 205.4 (C=O) ppm. IR (ATR): ν= 1712 (νC=O), 1652 (νC=N), 1652 (νC=O), 1652 (νC=O), 1652 (νC=O), 1652 (νC=O), 1652 (νC=N) ppm. 1652 (νC=N), 1589 (νpyridine ring), 1473, 1434, 1355, 1156, 751 cm-1.

References

[1] Inorganica Chimica Acta, 2013, vol. 401, p. 38 - 49
[2] Chemical Communications, 2009, # 14, p. 1891 - 1893
[3] Patent: CN104017004, 2016, B. Location in patent: Paragraph 0039-0043
[4] Journal of Molecular Structure, 2017, vol. 1128, p. 645 - 652

1-PYRIDIN-2-YL-PROPAN-2-ONE(6302-02-9)Related Product Information

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