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Showing posts with label alcohols. Show all posts
Showing posts with label alcohols. Show all posts

Sunday 24 November 2013

2,2,2-Trifluoro-1-(4-methoxyphenyl)ethanol


   Reaction Scheme: <IMG src="/images/empty.gif">Trifluoromethylation of <SPAN id=csm1378730185970 class=csm-chemical-name title=p-Anisaldehyde grpid="1">p-Anisaldehyde</SPAN><IMG src="/images/empty.gif">

2,2,2-Trifluoro-1-(4-methoxyphenyl)ethanol


 

2,2,2-trifluoro-1-(4-methoxyphenyl)-ethanol
2,2,2-trifluor-1-(4-methoxyphenyl)ethanol
2,2,2-trifluoro-1-(4-méthoxyphényl)éthanol
2,2,2-トリフルオロ-1-(4-メトキシフェニル)エタノール
Physical Properties
Melting Point: n/a
Boiling Point: 87-88 ºC (1 mmHg)
Density: n/a
Refractive Index: n/a
H1 NMR Spectrum:

 

Data

1H NMR (CDCl3, 400 MHz) d ppm 3.24 - 3.37 (m, 1 H)
3.80 (s, 3 H) O-CH3
4.91 (q, J=6.85 Hz, 1 H) C-H
6.92 (d, J=8.80 Hz, 2 H) arom-H ortho to oxygen
7.37 (d, J=8.80 Hz, 2 H) arom-H

 13C NMR (CDCl3, 101 MHz) d ppm
55.51 (CH3) O-CH3
72.60 (q, JC-C-F = 31.50 Hz, CH) CH-(OH)-CF3
114.28 (CH) AROM-C
120.44 – 128.84 (q, JC-F = 281.70 Hz, CF3)
126.54 (d, JC-C-C-F = 1.47 Hz, CH) CARBON ATOM ON AROM RING ATTACHED TO -CH-(OH)-CF3
129.07 (C) AROM-C META TO OXYGEN ATOM
160.60 (C) AROM C-O-CH3


 19F NMR (CDCl3, 377 MHz) d ppm -78.61 (d, = 6.81 Hz) 

GC-MS (EI) 206 ([M]+, 37%), 137 (100%), 109 (27%), 94 (28%), 77 (25%), 69 (4%).

Kelly, C. B.; Colthart, A. M.; Constant, B.D.; Corning, S.R.; Dubois, L. N. E.;  Genovese, J. T.; Radziewicz, J. L.; Sletten, E. M.; Whitaker, K. R.; Tilley, J. J. Org. Lett.201113, 1646.

Krishnamurti, R.; Bellew, D. R.; Prakash, G. K. S.  J.  Org. Chem. 199156, 984.
DOI: 10.1021/jo00001a002