2-Propylimidazole Chemical Properties

Melting point:

56-62°C

Boiling point:

152 °C / 15mmHg

Density 

0.9894 (rough estimate)

refractive index 

1.4700 (estimate)

storage temp. 

Sealed in dry,Room Temperature

form 

powder to crystal

pka

14.44±0.10(Predicted)

color 

White to Light yellow

InChI

InChI=1S/C6H10N2/c1-2-3-6-7-4-5-8-6/h4-5H,2-3H2,1H3,(H,7,8)

InChIKey

MKBBSFGKFMQPPC-UHFFFAOYSA-N

SMILES

C1(CCC)NC=CN=1

CAS DataBase Reference

50995-95-4(CAS DataBase Reference)

EPA Substance Registry System

1H-Imidazole, 2-propyl- (50995-95-4)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36/37/39-37/39

HS Code 

2933299090

2-Propylimidazole Usage And Synthesis

Chemical Properties

Class white to pale yellow crystalline powder

Uses

2-Propylimidazole is an imidazole compound and can be used as a synthetic intermediate.  It is also a new type of fluoroquinolone antibacterial agent and can be used to treat some disease infections.

Synthesis

2-Propylimidazole is prepared from ammonia solution, butyraldehyde and oxalate dialdehyde as raw materials.The synthetic route is:
butyraldehyde + glyoxal (aqueous solution) + ammonia water (water) → 2-Propylimidazole.
The specific steps are as follows: Firstly, add a mixed solution of glyoxal and butyraldehyde to the reactor of the isomerization synthesis device; Then open the cooling water valve and add ammonia water dropwise under temperature control. Restart the aqueous phase pump and the organic phase pump, continue to control the temperature, and reflux the reaction for 6 hours. The process was carried out under reduced pressure (4000Pa), the water was distilled off, and then cooled, crystallized and filtered to obtain the crude 2-Propylimidazole.

References

[1] Journal of Organic Chemistry, 2006, vol. 71, # 11, p. 4216 - 4221
[2] Patent: WO2006/138396, 2006, A2. Location in patent: Page/Page column 47-48
[3] Archiv der Pharmazie, 1988, vol. 321, # 4, p. 193 - 197
[4] Monatshefte fuer Chemie, 1888, vol. 9, p. 609
[5] European Journal of Organic Chemistry, 2013, # 6, p. 1068 - 1079

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