water solutions were prepared from ultrapure laboratory
grade water that had been filtered and purified by reverse
osmosis using a Millipore MilliQ reverse-osmosis cartridge
system (resistivity 18 MO cm). Thin layer chromatography
(TLC) was performed on aluminium oxide 60 F254 neutral
(Merck). Flash chromatography was performed on aluminium
oxide 90 active neutral (+4.9% water wt, 63–200 mm, Merck).
1H NMR and 13C NMR spectra were recorded at 298 K
on a Mercury Varian 400 spectrometer. Chemical shifts are
reported in ppm with the solvent as the internal reference and
coupling constants are given in Hz. Mass spectra were
acquired with a Finigan LCQ-ion trap equipped with an
electrospray source. Elemental analyses were performed by
the Service Central d0Analyse (Solaize, France).
L3py
H
(N,N,N0-tris(2-pyridylmethyl)ethylenediamine-N0-
acetic acid)ꢁ4HCl. A degassed 2 M HCl solution (75 mL)
was added to N,N,N0-tris(2-pyridylmethyl)-N0-(ethylacetate)-
ethylenediamine (369 mg, 0.88 mmol) and the resulting
mixture was refluxed for 16 h under argon, cooled at room
temperature and evaporated. The residue was washed with
ethanol and diethyl ether and dried under vacuum for one day
to afford L3pyꢁ4HCl (270 mg, 50%) as a white solid (found: C,
46.09; H, 6.12; N, 11.38%. Calc. for C22H25N5O2ꢁ4HClꢁ2H2Oꢁ
1EtOH: C, 46.54; H, 6.35; N, 11.31%); dH (400 MHz, D2O,
DSS) 8.73 (2H, d, J 4.9, H6), 8.62 (1H, d, J 5.9, H60), 8.53
(2H, t, J 7.8, H4), 8.33 (1H, t, J 7.8, H40), 8.07 (2H, d, J 7.8, H3),
7.98 (2H, t, J 6.8, H5), 7.81 (2H, m, HAr0), 4.37 (2H, s, H8), 4.30
(4H, s, H2), 3.71 (2H, s, H9), 3.26 (2H, t, J 6.8, H7), 3.03
(2H, t, J 6.8, H1); dC (100 MHz, D2O, DSS) 172.80 (C11),
152.01 (C10), 151.28 (C100), 147.28 (Cpyr), 144.28 (Cpyr),
143.77 (Cpyr), 141.58 (Cpyr), 127.19 (Cpyr), 126.48 (Cpyr),
126.12 (Cpyr), 125.84 (Cpyr), 56.18 (C9), 55.38 (C2), 55.19
(C8), 51.64 (C7), 50.82 (C1); m/z 392.2 (MH+, 100%).
Lpy, Lpz and 2-pyrazinecarbaldehyde were obtained according
to published procedures.12,22
Synthesis
N,N,N0-Tris(2-pyridylmethyl)ethylenediamine. N,N-Bis(2-pyridyl-
methyl)ethylenediamine was first obtained from N,N-bis(2-
pyridylmethyl)-N0-acetylethylenediamine (648 mg, 2.28 mmol)
according to published procedures.12 The crude product was
used for the reductive amination: 2-pyridinecarbaldehyde
(366 mg, 3.42 mmol) was added dropwise to a solution of
N,N-bis(2-pyridylmethyl)ethylenediamine (552 mg) in dry
methanol (50 mL), and the mixture was refluxed for 2 h under
argon. Sodium borohydride (259 mg, 6.84 mmol) was
added and the mixture was stirred at room temperature over-
night, and evaporated. An aqueous solution of saturated
NaHCO3(100 mL) was added to the residue and the whole
was extracted with dichloromethane (3 ꢃ 20 mL). The
collected organic layers were dried over Na2SO4, filtered,
and concentrated. The resulting brown oil was chromatographed
on aluminium oxide (elution with dichloromethane–ethanol
99 : 1) to afford N,N,N0-tris(2-pyridylmethyl)ethylenediamine
(416 mg, 55%) as an orange oil. dH (400 MHz, CDCl3, Me4Si)
8.50 (3H, d, J 5.0, HAr), 7.62 (3H, t, J 7.8, HAr), 7.52 (2H, d,
N,N,N0-Tris(2-pyrazinylmethyl)ethylenediamine. N,N-Bis(2-
pyrazinylmethyl)ethylenediamine was first obtained from
N,N-bis(2-pyrazinylmethyl)-N0-acetyl ethylenediamine (1.39 g,
4.84 mmol) according to published procedures.12 The crude
product was used for the reductive amination: a solution of
2-pyrazinecarbaldehyde (732 mg, 6.77 mmol) in dry methanol
(50 mL) was added dropwise to a solution of N,N-bis(2-
pyrazinylmethyl)ethylenediamine (1.397 g) in dry methanol
(200 mL), and the mixture was refluxed for 2 h under argon.
Sodium borohydride (649 mg, 17.16 mmol) was added and the
mixture was stirred at room temperature overnight, and
evaporated. The crude product was chromatographed on
aluminium oxide (elution with dichloromethane–ethanol
99 : 1) to afford N,N,N0-tris(2-pyrazinylmethyl)ethylene-
diamine (443 mg, 27%) as an orange oil. dH (400 MHz,
CDCl3, Me4Si) 8.70–8.46 (9H, m, HAr), 3.93 (6H, m,
H2/H8), 2.89 (4H, s, H1H7).
N,N,N0-Tris(2-pyrazinylmethyl)-N0-(ethylacetate)ethylene-
diamine. To a solution of N,N,N0-tris(2-pyrazinylmethyl)ethylene-
diamine (443 mg, 1.32 mmol) in dry acetonitrile (60 mL) under
argon, ethylchloroacetate (267 mL, 1.58 mmol) and potassium
carbonate (218 mg, 1.58 mmol) were added. After stirring the
mixture for 2 h at room temperature, the suspension was
refluxed overnight, cooled at room temperature, filtered and
evaporated. The resulting oil was chromatographed on alumi-
nium oxide (elution with ethylacetate–methanol 98 : 2) to
afford N,N,N0-tris(2-pyrazinylmethyl)-N0-(ethylacetate)ethylene-
diamine (271 mg, 49%) as an orange powder. dH (400 MHz,
CD3CN, Me4Si) 8.65 (2H, s, HAr), 8.62 (1H, s, HAr), 8.41
(6H, m, HAr), 4.07 (2H, q, J 7.0, COOCH2CH3,), 3.88
(2H, s, H8), 3.82 (4H, s, H2), 3.37 (2H, s, H9), 2.84 (2H, t,
J 6.3, H1/H7), 2.69 (2H, t, J 6.3, H1/H7), 1.85 (3H, t, J 7.0,
COOCH2CH3).
J
7.8, HAr), 7.29 (1H, d, 1.6, HAr), 7.13 (3H, t,
J
J 5.0, HAr), 3.85 (2H, s, H8), 3.84 (4H, s, H2), 2.81 (4H, s,
H1H7); m/z 334.1 (MH+, 100%).
N,N,N0-Tris(2-pyridylmethyl)-N0-(ethylacetate)ethylenediamine.
To a solution of N,N,N0-tris(2-pyridylmethyl)ethylenediamine
(416 mg, 1.25 mmol) in 30 mL of dry acetonitrile under
argon, were added ethylchloroacetate (160 mL, 1.5 mmol)
and potassium carbonate (207 mg, 1.5 mmol). After stirring
the mixture for 2 h at room temperature, the suspension was
refluxed overnight, cooled at room temperature, filtered and
evaporated. The resulting oil was chromatographed on
aluminium oxide (elution with dichloromethane–methanol
99 : 1) to afford N,N,N0-tris(2-pyridylmethyl)-N0-(ethylacetate)-
ethylenediamine (369 mg, 70%) as an orange powder. dH
(400 MHz, CDCl3, Me4Si) 8.49 (3H, m, HAr), 7.61 (2H, td,
J 7.8 and 1.6, HAr), 7.56 (1H, td, J 7.8 and 1.6, HAr), 7.49
(2H, d, J 7.8, HAr), 7.42 (1H, d, J 7.8, HAr), 7.13 (3H, m, HAr),
4.12 (2H, q, J 6.9, COOCH2CH3), 3.89 (2H, s, H8), 3.81
(4H, s, H2), 3.37 (2H, s, H9), 2.89 (2H, t, J 7.8, H1/H7), 2.72
(2H, t, J 7.8, H1/H7), 1.22 (3H, t, J 6.9, COOCH2CH3).
L3pz
K
(N,N,N0-tris(2-pyrazinylmethyl)ethylenediamine-N0-
acetic acid). N,N,N0-Tris(2-pyrazinylmethyl)-N0-(ethylacetate)-
ethylenediamine (271 mg, 0.641 mmol) was dissolved in a
solution containing degassed 1 M KOH solution (770 mL,
0.77 mmol), H2O (22.5 mL) and ethanol (7.5 mL). The
ꢀc
This journal is The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2010
114 | New J. Chem., 2010, 34, 108–116