1-DODECYLIMIDAZOLE Chemical Properties

Melting point:

69.5-70.5 °C(Solv: ethyl acetate (141-78-6))

Boiling point:

146 °C (0.5 mmHg)

Density 

0.9624 (rough estimate)

vapor pressure 

0.009Pa at 20℃

refractive index 

1.5312 (estimate)

storage temp. 

Sealed in dry,2-8°C

solubility 

Chloroform (Slightly), Methanol (Slightly)

form 

Liquid

pka

7.08±0.10(Predicted)

color 

Clear yellow

InChI

InChI=1S/C15H28N2/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-16-15-17/h12,14-15H,2-11,13H2,1H3

InChIKey

JMTFLSQHQSFNTE-UHFFFAOYSA-N

SMILES

C1N(CCCCCCCCCCCC)C=CN=1

LogP

3.56-5.5 at pH5-9

Surface tension

45mN/m at 20mg/L and 20℃

EPA Substance Registry System

1H-Imidazole, 1-dodecyl- (4303-67-7)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

37/39-26

HS Code 

29332990

MSDS

• Language:English Provider:ACROS

1-DODECYLIMIDAZOLE Usage And Synthesis

Chemical Properties

Clourless Liquid

Uses

A N-alkylated derivative of imidazole as antibacterial agent.

Synthesis

Imidazole (0.68 g, 10 mmol) and bromododecane (2.5 g, 10 mmol) were added to anhydrous potassium carbonate (2.76 g, 20 mmol) in a 50 mL round-bottomed flask and dissolved in 20 mL of acetone. The mixed solution was heated to reflux for 7 hours. After completion of the reaction, the acetone solvent was removed by rotary evaporation. The crude product was purified by column chromatography using ethyl acetate as eluent. After collecting the target components, the ethyl acetate solvent was removed by rotary evaporation under reduced pressure and the final product was dried under vacuum to give purified 1-dodecylimidazole in 90% yield.

in vivo

References

[1] Russian Journal of Organic Chemistry, 2013, vol. 49, # 9, p. 1291 - 1299
[2] Zh. Org. Khim., 2013, vol. 49, # 9, p. 1308 - 1316,9
[3] Patent: CN106188014, 2016, A. Location in patent: Paragraph 0016
[4] Patent: CN103951702, 2016, B. Location in patent: Paragraph 0059; 0060
[5] Tetrahedron, 2010, vol. 66, # 35, p. 7077 - 7082

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