G. Meier et al. / Bioorg. Med. Chem. 10 (2002) 2535–2542
2539
Experimental
1.82 (m, 2H, PipN-CH2CH2), 1.88–1.95 (m, 2H, Pip-
3,5Ha), 1.99–2.03 (m, 1H, Pip-4He), 2.07–2.12 (m, 2H,
Pip-3,5He), 2.64–2.68 (t, J=7.6 Hz, 2H, PhCH2), 2.93–
3.01 (m, 2H, Pip-2,6Ha), 3.14–3.19 (m, 2H, PipN-CH2),
3.67–3.71 (m, 2H, Pip-2,6He), 6.55 (br, 1H, NH+),
7.16–7.22 (m, 3H, Ph-2,4,6H), 7.27–7.31 (m, 2H, Ph-
3,5H); EI–MS (70 eV) m/z (%) 259 (M+, 3).
Chemistry
General procedures. Melting points were determined on
an Electrothermal IA 9000 digital or a Buchi 512 appa-
ratus. NMR spectra were recorded on a Bruker DPX
400 Avance spectrometer (1H: 400 MHz, 13C 100 MHz).
1H NMR chemical shifts are expressed in ppm down-
field from internal tetramethylsilane as reference. Data
are reported in the following order: multiplicity (br,
broad; dt, doublet of a triplet; t, triplet; td, triplet of a
doublet; m, multiplet; Ha, axial proton; He, equatorial
proton; Pip, piperidino; Ph, phenyl), number of pro-
tons, and approximate coupling constants in hertz (Hz).
13C NMR data are expressed as chemical shifts down-
field (Ox, oxalic acid). Mass spectra were obtained on
Finnigan MAT CH7A (EI–MS), Finnigan MAT CH5DF
(FAB-MS), and Finnigan MAT 711 (high-resolution
mass spectra), spectrometer resolving power 12 500. IR
spectra were recorded on a 1420 Ratio-Recording or a
297 spectral photometer (Perkin–Elmer) in KBr (m,
medium; s, strong). Elemental analyses (C, H, N) for all
compounds were measured on Perkin–Elmer 240 B or
Perkin–Elmer 240 C instruments and are within 0.4% of
theoretical values unless otherwise stated (Table 2).
N-Octylpiperidine hydrogen oxalate (5). The final pro-
duct was crystallized as a salt of oxalic acid from iso-
propanol (75%). 1H NMR (d6-DMSO) 0.84–0.88 (t,
J=6.8 Hz, 3H, CH3), 1.26 (br, 10H, Ph(CH2)2(CH2)5),
1.51–1.61 (m, 4H, Pip-3,5Ha, Pip-4H2), 1.69–1.72 (m,
4H, Pip-NCH2CH2, Pip-3,5He), 2.90–2.94 (m, 2H, Pip-
2,6Ha), 3.06 (br, 4H, Pip-NCH2, Pip-2,6He); EI–MS
(70 eV) m/z (%) 197 (M+, 3).
N-(8-Phenyloctyl)piperidine hydrogen oxalate (6). The
final product was crystallized as a salt of oxalic acid from
isopropanol (73%). 1H NMR (CF3COOD) d 1.42 (m, 8H,
PipN-(CH2)2(CH2)4), 1.55–1.61 (m, 1H, Pip-4Ha), 1.68 (m,
2H, PhCH2CH2), 1.82–1.84 (m, 2H, PipN-CH2CH2),
1.88–1.94 (m, 2H, Pip-3,5Ha), 1.98–2.01 (m, 1H, Pip-4He),
2.07–2.11 (m, 2H, Pip-3,5He), 2.63–2.67 (t, J=7.6 Hz,
2H, PhCH2), 2.93–3.01 (m, 2H, Pip-2,6Ha), 3.14–3.20
(m, 2H, PipN-CH2), 3.68–3.71 (m, 2H, Pip-2,6He), 6.55
(br, 1H, NH+), 7.15–7.23 (m, 3H, Ph-2,4,6H), 7.27–7.30
(m, 2H, Ph-3,5H); EI–MS (70 eV) m/z (%) 273 (M+, 4).
General procedure for the preparation of alkanes 2, 4–7,
and alkyne 10
A solution of the desired 1-chloro-!-phenylalkane (2, 4,
6, 7), 4-chlorobutyne (10), or 1-bromooctane (5) (1
equiv), K2CO3 (2.4 equiv), piperidine (1.2 equiv), and a
catalytic amount of KI in acetonitrile (5 mL/mmol of
piperidine) (except 10: acetone) was refluxed for 12–18 h.
The mixture was filtered and the solvent removed under
reduced pressure. Unless otherwise stated, the work up
procedure was performed as follows: The oily residue
was suspended in water, aqueous HCl (2 M) was added
until a pH value of approximately 1 was reached. The
mixture was extracted with dichloromethane. NaOH
(2 M) was added to the aqueous layer, and the mixture
was brought to a pH of approximately 10 and extracted
with dichloromethane. The organic layers were com-
bined, dried (Na2SO4), and the solvent removed under
reduced pressure to give yellow or orange oils.
N-(9-Phenylnonyl)piperidine hydrogen oxalate (7). The
final product was crystallized as a salt of oxalic acid
from isopropanol (62%). 1H NMR (d6-DMSO) 1.25 (br,
10H, Ph(CH2)2(CH2)5), 1.54–1.59 (m, 6H, PhCH2CH2,
Pip-3,5Ha, Pip-4H2), 1.69–1.72 (m, 4H, Pip-NCH2CH2,
Pip-3,5He), 2.54–2.58 (t, J=7.6 Hz, 2H, PhCH2), 2.90–
2.94 (m, 2H, Pip-2,6Ha), 3.06 (br, 4H, Pip-NCH2, Pip-
2,6He), 7.14–7.18 (m, 3H, Ph-2,4,6H), 7.25–7.28 (m, 2H,
Ph-3,5H); EI–MS (70 eV) m/z (%) 287 (M+, 3).
N-Hex-5-ynylpiperidine hydrogen oxalate (10). After fil-
tration, the residue was further purified through column
chromatography, using dichloromethane/methanol
95:5+0.5% aqueous NH3 as eluent. The final product
was crystallized as a salt of oxalic acid from ethanol/
1
diethyl ether (39%). H NMR (CF3COOD) d 1.57–1.71
(m, 3H, CH2CH2Cꢂ, Pip-4Ha), 1.86–1.94 (m, 2H, Pip-
3,5Ha), 1.97–2.04 (m, 3H, Pip-4He, PipN-CH2CH2),
2.06 (t, J=2.4 Hz, 1H, ꢂCH), 2.10–2.14 (m, 2H, Pip-
3,5Ha), 2.31–2.36 (dt, J=2.4 Hz and J=6.5 Hz, 2H,
CH2Cꢂ), 2.98–3.07 (m, 2H, Pip-2,6Ha), 3.24–3.29 (m,
2H, PipN-CH2), 3.73–3.77 (m, 2H, Pip-2,6He), 6.66 (br,
1H, NH+); 13C NMR (CF3COOD) d 18.9 (CH2Cꢂ),
23.2 (Pip-4), 25.1 (PipN-CH2CH2), 25.2 (Pip-3,5), 26.5
(CH2CH2Cꢂ), 56.9 (Pip-2,6), 60.1 (PipN-CH2), 71.4
(ꢂCH), 84.8 (CꢂCH), 162.8 (Ox); EI–MS m/z (%) 165
(M+, 3); IR (cmÀ1) 3214s (n[ꢂC-H]).
N-(5-Phenylpentyl)piperidine hydrogen oxalate (2). The
final product was crystallized as a salt of oxalic acid
from isopropanol (72%). H NMR (CF3COOD) 1.63–
1
1.71 (m, 2H, PipN-(CH2)2CH2), 1.73–1.83 (m, 1H, Pip-
4Ha), 1.92–1.98 (m, 2H, PhCH2CH2), 2.01–2.12 (m, 4H,
Pip-3,5Ha, PipN-CH2CH2), 2.17–2.21 (m, 1H, Pip-4He),
2.25–2.29 (m, 2H, Pip-3,5He), 2.88–2.91 (t, J=7.4 Hz,
2H, PhCH2), 3.10–3.18 (m, 2H, Pip-2,6Ha), 3.32–3.37
(m, 2H, PipN-CH2), 3.84–3.87 (m, 2H, Pip-2,6He), 6.71
(br, 1H, NH+), 7.39–7.41 (m, 3H, Ph-2,4,6H), 7.48–7.52
(m, 2H, Ph-3,5H); EI–MS (70 eV) m/z (%) 231 (M+, 5).
General procedure for the preparation of alkynes 13b,
14b, 8, and 9
N-(7-Phenylheptyl)piperidine hydrogen oxalate (4). The
final product was crystallized as a salt of oxalic acid
from isopropanol/diethyl ether (4%). 1H NMR
(CF3COOD) 1.45 (m, 6H, PipN-(CH2)2(CH2)3), 1.58–
1.62 (m, 1H, Pip-4Ha), 1.66–1.73 (m, 2H, PhCH2CH2),
A 100 mL, three-necked flask was dried, flushed with
argon and charged with lithium-acetylenide-EDA
complex (1.1 equiv, except 8: 2.2 equiv) via argon coun-