1-(4-Isobutylphenyl)ethanol

1-(4-Isobutylphenyl)ethanol Basic information
Product Name:1-(4-Isobutylphenyl)ethanol
Synonyms:α-Methyl-4-(2-Methylpropyl)benzeneMethanol;Ibuprofen IMpurity-Q(EP/BP);1-[4-(2-methylpropyl)phenyl]ethanol;(1-HYDROXYETHYL)-4-ISOBUTYLBENZENE;(1-HYDROXYETHYL)-4-(2-METHYLPROPYL)BENZENE;1-(4-ISOBUTYLPHENYL)ETHANOL;IBUPROFEN IMP D2;α-(4-Isobutylphenyl)ethanol
CAS:40150-92-3
MF:C12H18O
MW:178.27
EINECS:641-487-5
Product Categories:Aromatics, Pharmaceuticals, Intermediates & Fine Chemicals;Aromatics;Intermediates & Fine Chemicals;Pharmaceuticals
Mol File:40150-92-3.mol
1-(4-Isobutylphenyl)ethanol Structure
1-(4-Isobutylphenyl)ethanol Chemical Properties
Boiling point 111 °C(Press: 1 Torr)
density 0.954±0.06 g/cm3(Predicted)
storage temp. 2-8°C
solubility Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form Oil
pka14.53±0.20(Predicted)
color Colourless
EPA Substance Registry SystemBenzenemethanol, .alpha.-methyl-4-(2-methylpropyl)- (40150-92-3)
Safety Information
MSDS Information
1-(4-Isobutylphenyl)ethanol Usage And Synthesis
Uses1-(4-Isobutylphenyl)ethanol is a photodegradation product of Ibuprofen (I140000). Shows cytotoxicity activity.
Preparation1-(4-Isobutylphenyl)ethanol synthesis: A solution of p-isobutylacetophenone (1.20mL), methanol (3.00mL), and sodium borohydride (0.2509g) was mixed in a separatory funnel and allowed to sit for 10min. After the standing time period, a 10 % HCl solution (10.0 mL) was added to remove any unreacted sodium borohydride, and the product was extracted using petroleum ether. 1-(4-Isobutylphenyl)ethanol product (1.002g, 87.2%) was collected and dried using anhydrous sodium sulfate.
1HNMR (300MHz, CDCl3): δ7.281 (2H, m, J = 4.0 Hz), δ7.174 (2H, m, J = 4.0 Hz), δ4.855 (1H, s, J =0.92Hz), δ2.714 (3H, q, J =2.2Hz), δ2.554 (2H, t, J = 2.8 Hz), δ1.795 (1H, q, J = 2.7 Hz), δ1.484 (1H, m, J =2.8Hz), δ0.976 (6H, q, J =6.1Hz). 13C NMR (300 MHz, CDCl3): 143.325, 140.684, 129.143, 125.357, 70.034, 45.196, 30.343, 25.076, 22.725, 22.465.
1-(4-Isobutylphenyl)ethanol Preparation Products And Raw materials
Preparation Products4-Isobutylbenzaldehyde-->4'-(2-Methylpropyl)acetophenone
Ibuprofen Ethyl Ester 1,3-bis(4-isobutylphenyl)butan-1-one 2-(4-Methylphenyl)propanoic acid Ibuprofen Ester Impurity 2-(4-isobutylphenyl)propionaldehyde Ibuprofen Impurity 4 4'-(2-Methylpropyl)acetophenone Ibuprofen Impurity 2 p-Isobutylstyrene Ibuprofen Impurity 10 ETHYL 3-(4-ISOBUTYLPHENYL)-3-METHYL GLYCIDATE 2-(4-isobutylphenyl)oxirane (2RS)-2-HYDROXY-2-(4-ISOBUTYLPHENYL)PROPANOIC ACID AH13205 (1R)-1-(4-ISOBUTYLPHENYL)ETHANOL (1S)-1-(4-ISOBUTYLPHENYL)ETHANOL 1-(4-ISOBUTYLPHENYL)ETHANOL-2,2,2-D3 lactoquinomycin B

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