o-(1-phenylethyl)phenol Chemical Properties

Boiling point:

742.2 °C(Press: 300-302 Torr)

Density 

1.074±0.06 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

pka

10.07±0.35(Predicted)

InChI

InChI=1S/C14H14O/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14(13)15/h2-11,15H,1H3

InChIKey

WYZIVNCBUWDCOZ-UHFFFAOYSA-N

SMILES

C1(O)=CC=CC=C1C(C1=CC=CC=C1)C

EPA Substance Registry System

Phenol, 2-(1-phenylethyl)- (4237-44-9)

o-(1-phenylethyl)phenol Usage And Synthesis

Synthesis

In the standard synthesis step, 1 mmol (0.115 mL) of styrene (CAS: 292638-84-7), 1.5 mmol (0.141 g) of phenol, 2 mL of cyclohexane as a solvent, and 0.050 g of catalyst were added to a Pyrex reaction flask. Subsequently, the reaction mixture was placed in a CEM-Discover microwave reactor and the reaction was continuously stirred at 200 W power (temperature controlled at 120 °C) for 10 min. Upon completion of the reaction, an appropriate sample of the reaction mixture was taken for product analysis using an Agilent 6890N gas chromatograph (GC) equipped with an HP-5 capillary column (30 m × 0.32 mm × 0.25 μm) and a flame ionization detector (FID) and a gas chromatography-mass spectrometer (GC-MS). Blank experiments showed that thermal effects had a negligible impact on the reaction (less than 5% conversion after 24 h). The response factors of the reaction products were determined by GC analysis through calibration mixtures prepared using standard compounds. The microwave reaction conditions were typically in power-controlled mode (monitored by an infrared temperature probe), and the power output was adjusted (maximum power setting of 300 W) to achieve a reaction temperature range of 115-120 °C. The reaction temperature range of 115-120 °C was determined by the microwave reaction conditions.

References

[1] Chemische Berichte, 1903, vol. 36, p. 4002
[2] Chemische Berichte, 1903, vol. 36, p. 4002
[3] Organic Letters, 2006, vol. 8, # 1, p. 19 - 22
[4] Tetrahedron Letters, 2007, vol. 48, # 39, p. 6881 - 6885
[5] Synlett, 2008, # 7, p. 1096 - 1100

o-(1-phenylethyl)phenol(4237-44-9)Related Product Information

• (1-phenylethyl)phenol