4-Hydroxyheptanophenone Chemical Properties

Melting point:

93°C

Boiling point:

220°C 15mm

Density 

1.021±0.06 g/cm3(Predicted)

storage temp. 

Inert atmosphere,Room Temperature

form 

powder to crystal

pka

8.18±0.15(Predicted)

color 

White to Almost white

InChI

InChI=1S/C13H18O2/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h7-10,14H,2-6H2,1H3

InChIKey

MAZPQHJYGKZQEA-UHFFFAOYSA-N

SMILES

C(C1=CC=C(O)C=C1)(=O)CCCCCC

CAS DataBase Reference

14392-72-4(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi,N,Xn

Risk Statements 

36/37/38-51/53-36-22

Safety Statements 

26-36/37/39-61

RIDADR 

UN 3077 9 / PGIII

WGK Germany 

3

HS Code 

2914.50.3000

4-Hydroxyheptanophenone Usage And Synthesis

Synthesis

GENERAL METHOD: Phenol (0.28 mmol) was co-dissolved with heptanoyl chloride (0.28 mmol) in trifluoromethanesulfonic acid (TfOH, 3 mL) at 0 °C. The reaction mixture was then slowly warmed to room temperature under the conditions shown in Table 2 and maintained for an appropriate reaction time. Upon completion of the reaction, the mixture was poured into a pre-cooled mixture of distilled water and ethyl acetate. The organic phase was separated and washed sequentially with 1 M hydrochloric acid, saturated sodium bicarbonate solution and saturated sodium chloride solution. The organic layer was dried over anhydrous magnesium sulfate and filtered, and the filtrate was concentrated. The crude product obtained was purified by silica gel column chromatography to obtain the target compound p-hydroxyphenylheptanone. The spectral data of all the products were in agreement with those reported in the literature.

References

[1] Tetrahedron, 2011, vol. 67, # 3, p. 641 - 649
[2] Tetrahedron, 1981, vol. 37, # 16, p. 2815 - 2821
[3] Bioorganic and Medicinal Chemistry Letters, 2001, vol. 11, # 6, p. 841 - 844
[4] Bioorganic and Medicinal Chemistry Letters, 2006, vol. 16, # 17, p. 4519 - 4522
[5] Bioorganic and Medicinal Chemistry Letters, 2001, vol. 11, # 18, p. 2525 - 2528

4-Hydroxyheptanophenone(14392-72-4)Related Product Information

• 4-Methoxyphenol
• Triclosan
• 2'-Hydroxyacetophenone
• 3'-Hydroxyacetophenone
• Methylparaben
• 4-Hydroxybenzoic acid
• 2,3,4-Trihydroxybenzoic acid
• 4'-Hydroxyacetophenone
• 4-Hydroxy-D-(-)-2-phenylglycine
• CHLOROPHOSPHONAZO III
• 3-(4-Hydroxyphenyl)propionic acid
• 4-Hydroxybenzaldehyde
• 4'-Hydroxynonanophenone
• 4-HYDROXYOCTANOPHENONE
• R(+)-IAA-94
• HEPTANOPHENONE
• 4-(Hydroxyphenyl)-1-heptanone
• SILYDIANIN