| Identification | Back Directory | [Name]
2-(4-BENZYLOXYPHENYL)ETHANOL | [CAS]
61439-59-6 | [Synonyms]
4-Benzyloxyphenylethanol p
P-Benzyloxyphenylethan-2-ol
4-BENZYLOXYPHENYLETHAN-2-OL
2-(4-BENZYLOXYPHENYL)ETHANOL
4-Benzyloxyphenethyl Alcohol
2-(p-Benzyloxyphenyl)ethanol
p-(benzyloxy)phenethyl alcohol
4-BENZYLOXYPHENYLETHYL ALCOHOL
4-(Phenylmethoxy)benzeneethanol
-(p-Benzyloxyphenyl)ethyl Alcohol
2-(4-Benzyloxyphenyl)ethanol, 98+% | [EINECS(EC#)]
262-795-2 | [Molecular Formula]
C15H16O2 | [MDL Number]
MFCD00017532 | [MOL File]
61439-59-6.mol | [Molecular Weight]
228.29 |
| Chemical Properties | Back Directory | [Appearance]
White Solid | [Melting point ]
85-87°C | [Boiling point ]
379.1±22.0 °C(Predicted) | [density ]
1.116±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
14.93±0.10(Predicted) | [color ]
White to Off-White | [BRN ]
2054624 | [InChI]
InChI=1S/C15H16O2/c16-11-10-13-6-8-15(9-7-13)17-12-14-4-2-1-3-5-14/h1-9,16H,10-12H2 | [InChIKey]
JCUJAHLWCDISCC-UHFFFAOYSA-N | [SMILES]
C1(CCO)=CC=C(OCC2=CC=CC=C2)C=C1 | [CAS DataBase Reference]
61439-59-6 |
| Hazard Information | Back Directory | [Chemical Properties]
White Solid | [Uses]
Betaxolol Impurity | [Synthesis]
Example 2 Synthesis of 2-(4-benzyloxyphenyl)ethanol
Methyl 2-(4-benzyloxyphenyl)acetate (7.8 mmol) was dissolved in anhydrous ether (5 mL) and added slowly and dropwise to a suspension of lithium aluminum hydride (15.8 mmol) in anhydrous ether (25 mL) at 0 °C. The reaction mixture was stirred overnight at room temperature and the reaction was subsequently quenched with water. The reaction mixture was extracted with ethyl acetate and the organic layers were combined and dried over anhydrous sodium sulfate. The solvent was removed by distillation under reduced pressure to give 2-(4-phenylmethoxyphenyl)ethanol in quantitative yield.
1H-NMR (CDCl3): δ 7.28-7.47 (m, 5H); 7.17 (d, J = 8.7 Hz, 2H); 6.95 (d, J = 8.7 Hz, 2H); 5.07 (s, 2H); 3.85 (t, J = 6.6 Hz, 2H); 2.84 (t, J = 6.6 Hz, 2H). | [References]
[1] Patent: WO2007/139923, 2007, A1. Location in patent: Page/Page column 77
[2] Monatshefte fur Chemie, 1997, vol. 128, # 8-9, p. 863 - 879
[3] Molecular Crystals and Liquid Crystals (1969-1991), 1991, vol. 206, p. 103 - 116
[4] Bioorganic and Medicinal Chemistry Letters, 2002, vol. 12, # 4, p. 525 - 528
[5] Patent: US4672071, 1987, A |
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