N-octylpyridin-4-amine Chemical Properties

Melting point:

70-73 °C(Solv: hexane (110-54-3))

Boiling point:

327.3±15.0 °C(Predicted)

Density 

0.947±0.06 g/cm3(Predicted)

vapor pressure 

0.004Pa at 25℃

storage temp. 

Keep in dark place,Inert atmosphere,Room temperature

solubility 

Chloroform (Slightly), Methanol (Slightly)

form 

Solid

pka

8.32±0.26(Predicted)

color 

Light Brown to Dark Brown

InChI

InChI=1S/C13H22N2/c1-2-3-4-5-6-7-10-15-13-8-11-14-12-9-13/h8-9,11-12H,2-7,10H2,1H3,(H,14,15)

InChIKey

RHDWCSIBVZKRRU-UHFFFAOYSA-N

SMILES

C1=NC=CC(NCCCCCCCC)=C1

LogP

2.28 at 22.5℃ and pH7

Surface tension

58mN/m at 1g/L and 20℃

N-octylpyridin-4-amine Usage And Synthesis

Chemical Properties

White crystals, melting point 65-66℃.

Uses

N-Octylpyridin-4-amine is used in the synthesis of antimicrobial agent Octenidine (O239150), as chelating agent.

Synthesis

Add n-octylamine (100 mg), 4-chloropyridine hydrochloride (30 kg) and sodium fluoride (10 kg) to a 200 L reactor and raise the temperature to 130 °C. The reaction was stirred at this temperature for 2 hours. Upon completion of the reaction, the unreacted n-octylamine was recovered by distillation under reduced pressure. Subsequently, the pH of the reaction mixture was adjusted with hot aqueous sodium carbonate to about 7. Ethyl acetate (120 kg) was added for extraction and the aqueous layer was separated. The organic layer was cooled, filtered and dried to afford the target product 4-(octylamino)pyridine (32.3 kg) in 99.3% purity and 78.5% yield.

References

[1] Journal of the American Chemical Society, 2008, vol. 130, # 20, p. 6586 - 6596
[2] Patent: CN107501173, 2017, A. Location in patent: Paragraph 0018

N-octylpyridin-4-amine(64690-19-3)Related Product Information

• N-cyclooctylpyridin-4-amine
• AKOS BC-1032
• Octenidine dihydrochloride
• 1-pyridin-4-yloctahydro-1H-indole-2-carboxylic acid
• AKOS BB-8714
• SALOR-INT L263079-1EA
• BUTYL 6,8-DIFLUORO-4-((4AR,8AS)-OCTAHYDROISOQUINOLIN-2(1H)-YL)QUINOLINE-2-CARBOXYLATE
• quindecamine
• N-octylpyridin-4-amine
• N-pyridin-4-yloctahydro-1H-indole-2-carboxamide
• 4-([2-(1-CYCLOHEXENYL)ETHYL]AMINO)-1-METHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLIC ACID
• AURORA 19583
• BUTYL 6-BROMO-4-((4AR,8AS)-OCTAHYDROISOQUINOLIN-2(1H)-YL)QUINOLINE-2-CARBOXYLATE
• ETHYL 4-([2-(1-CYCLOHEXENYL)ETHYL]AMINO)-1-METHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE