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M. MORMANN AND D. KUCK
hydrolysis by careful addition of saturated aqueous ammonium chloride
at 0 8C, the mixture was extracted several times with diethyl ether. In
addition, the aqueous layer was extracted with the same solvent for 24 h
by use of a Kutscher–Steudel extractor. The combined organic layers
were washed with saturated sodium chloride solution and dried over
sodium sulphate. The solvents were carefully removed by distillation
through a 30-cm-Vigreux column. The crude residue obtained was
sublimed at 65 8C (25 mbar) yielding cyclohexanol 4 (2.93 g, 92%) as a
mixture of diastereomers (GC–MS) and as a colourless solid; mp.: 648C;
1H-NMR (500 MHz, CDCl3): d=1.60–1.69 (m, 2 H), 1.48–1.51 (m,
2 H), 1.35–1.38 (m, 3 H), 1.22–1.33 (m, 3 H), 1.21 (d, J(1H,13C)=4.1 Hz,
3 H), 0.91 (d, J =5.9 Hz, 3 H); MS (EI, 70 eV): m/z=129 (4, M*+), 114
(17), 112 (4), 111 (3), 100 (2), 96 (18), 85 (7), 72 (100), 71 (38), 59 (23), 44
(33), 41 (28).
1,4-Dimethyl-[1-13C]cyclohexene 5a. A mixture of cyclohexanol 4
(2.8 g, 21.7 mmol) and para-toluenesulphonic acid (200 mg, 1.1 mmol)
was heated to 160 8C in a microdistillation apparatus equipped with a
20-cm electrically heated Vigreux column. The azeotropic alkene/water
mixture (bp.: 81–87 8C) distilling off was collected at a column
temperature of 90 8C. The organic layer was separated and dried
carefully by addition of sodium pieces (200 mg). Subsequent distillation
afforded cyclohexene 5a (1.78 g, 78%) as a colourless liquid; bp.: 1218C;
1H-NMR (500 MHz, CDCl3): d=5.34 (br s, 1 H), 1.91–2.03 (m, 2 H),
1.66–1.70 (m, 2 H), 1.64 (d, J(1H,13C)=5.9 Hz, 3 H), 1.55–1.60 (m, 2 H),
1.18–1.25 (m, 1 H), 0.93 (d, J =6.2 Hz, 3 H); MS (EI, 70 eV): m/z=111
(40, M*+), 96 (77), 82 (19), 78 (10), 69 (91), 68 (1 0 0), 59 (13), 55 (24),
41 (27).
[1-13C]para-xylene 1a. A mixture of cyclohexene 5a (250 mg,
2.3 mmol) and Pd/C catalyst (100 mg, 10% Pd) was shaken for
15 min. The alkene was then separated from the catalyst by centrifuga-
tion and added to an intimately mixed, dried and powdered mixture of
maleic acid (800 mg, 6.9 mmol) and Pd/C catalyst (280 mg, 10% Pd).
This mixture was heated to reflux (130 8C) for 48 h. The product was
collected by condensing it into a cooling trap (liquid nitrogen) to give
para-xylene 1a (105 mg, 44%). GC–MS analysis of the product
indicated contamination with the corresponding cyclohexanes
1
(ca 6%). H-NMR of 1a (500 MHz, CDCl3): d=7.06 (br s, 4 H), 2.31
(d, J(1H,13C)=5.5 Hz, 3 H), 2.31 (s, 3 H); MS (EI, 70 eV): m/z=107 (59,
M*+), 106 (36), 92 (100), 91 (16), 79 (7), 78 (12), 77 (5), 66 (5), 65 (4), 52
(7), 51 (9).
Copyright # 2002 John Wiley & Sons, Ltd.
J Label Compd Radiopharm 2002; 45: 601–610