J Incl Phenom Macrocycl Chem (2011) 71:567–575
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dropwise over 5 min to a refluxing solution of L2 (232 mg,
0.23 mmol) in dry EtOH (5 cm3). A white precipitate
formed instantly. The suspension was left refluxing for 1 h,
then cooled to room temperature. The solvent was con-
centrated by rotary evaporation and then the residue was
triturated with ether to produce a light cream powder. This
was collected by filtration, washed with ice-cold water
(1 cm3) and dried under vacuum to give the product,
(252 mg, 83%). (Found: C, 51.85; H, 5.98; N, 4.97.
C61H85CdCl2N5O21 requires C, 52.05; H, 6.09; N, 4.98%).
UV–vis (20% aqueous 1,4-dioxane): kmax/nm 388.7 (e/
dm3 mol-1 cm-1 9481), 368.7 (9935), 350.3 (6423), 334.4
(3364), 320.2 (sh) (1763). 1H NMR (DMSO-d6):d 8.61
(3H, br s, AnthH); 8.09 (2H, br s, AnthH); 7.52 (4H, br s,
AnthH); 7.28 (8H, br m, PhH); 7.0–6.4 (12H, br m, PhH);
5.1–1.8 (46H, br m, –OH, –CH– and –CH2–). 13C NMR
(DMSO-d6):d 158.5 (1C, Ph, ipso); 158.2 (3C, Ph, ipso);
131.0 (2C, Anth); 130.9 (1C, Anth); 130.3 (8C, Ph); 129.6
(2C, Anth); 127.6 (2C, Anth); 126.8 (1C, Anth); 126.1 (2C,
Anth); 125.1 (2C, Anth); 124 (2C, Anth); 121.3 (3C, Ph);
121.0 (1C, Ph); 115.6 (8C, Ph); 71.0 (1C, OCH2); 70.6 (1C,
OCH2); 70.3 (2C, OCH2); 67.7 (1C, methine); 67.0 (1C,
methine); 66.2 (1C, methine); 64.4 (1C, methine); 61.5
(1C, exo-CH2N); 60.0 (1C, exo-CH2N); 57.5 (1C, exo-
CH2N); 56.1 (1C, exo-CH2N); 54.2 (1C, exo-CH2N); 52.0
(1C, exo-CH2N); 51.3 (2C, cyclen CH2); 50.2 (2C, cyclen
CH2); 49.0 (2C, cyclen CH2); 48.2 (2C, cyclen CH2); 44.8
(1C, Anth-CH2-N-).
1-((N-(2-(9-Anthracenylmethyl)(N-(2S)-(-)-2-hydroxy-3-
[(40-t-butyl)phenoxy]propyl)aminoethyl))-4,7,10-tris((2S)-
(-)-2-hydroxy-3-[40-(t-butyl)phenoxypropyl)-1,4,7,10-
tetraazacyclododecane, L4
1-(2-(9-anthracenylmethylamino)ethyl)-1,4,7,10-tetraaza-
cyclododecane, 1, (268 mg, 0.66 mmol) was dissolved in
dry EtOH (20 cm3) and stirred. (2S)-(?)-3-[40-(t-butyl)
phenoxy]-1,2-epoxy propane (541 mg, 2.61 mmol) was
added in EtOH (20 cm3). The reaction mixture was heated
under reflux for 10 days, whilst monitoring by TLC
(CH2Cl2/hexane, 9:1). Upon loss of starting material the
reaction was cooled to room temperature, filtered and the
filtrate was evaporated to leave the product as a reddish oil
(700 mg, 86%). UV–vis (20% aqueous 1,4-dioxane): kmax
/
nm 388.6 (e/dm3 mol-1 cm-1 7753), 368.5 (8159), 350.2
(5350), 334.1 (2786), 319.0 (sh) (1444). 1H NMR
(CD3CN): d 8.51 (2H, d, J = 5.8 Hz, AnthH); 8.43 (1H, d,
J = 5.8 Hz, AnthH); 7.99 (2H, d, J = 6.4 Hz, AnthH); 7.45
(4H, br s, AnthH); 7.4–7.1 (8H, m, PhH); 7.0–6.4 (8H, m.
PhH); 4.62 (4H, br s, –OH); 4.50–1.80 (42H, br m, –CH- and –
CH2–); 1.27 (36H, br s, –CH3). 13C NMR (CD3CN): d 157.7
(3C, Ph, ipso); 157.5 (1C, Ph, ipso); 144.3 (4C, Ph, ipso);
135.3 (2C, Anth, ipso); 132.4 (2C, Anth, ipso); 131.4 (1C,
Anth, ipso); 130.0 (2C, Anth); 128.6 (2C, Anth); 127.8 (1C,
Anth); 127.2 (6C, Ph); 127.0 (2C, Ph), 126.1 (2C, Anth); 124.5
(2C, Anth); 118.3 (4C, Ph); 115.0 (4C, Ph); 72.5 (1C, OCH2);
71.3 (1C, OCH2); 70.5 (1C, OCH2); 70.2 (1C, OCH2); 69.8
(1C, methine); 68.6 (1C, methine); 67.3 (1C, methine); 67.2
(1C, methine); 66.6 (1C, exo-NCH2); 64.1 (1C, exo-CH2N);
61.5 (1C, exo-CH2N); 58.8 (1C, exo-CH2N); 57.7 (1C, exo-
CH2N); 54.4 (1C, exo-CH2N); 52.9 (2C, cyclen CH2); 52.6
(2C, cyclen CH2); 52.3 (2C, cyclen CH2); 51.7 (2C, cyclen
CH2); 47.4 (1C, Anth-CH2N-); 34.7 (4C, -C(CH3)3); 31.8
(12C, -CH3). To obtain a sample for microanalysis L4 was
converted to its pentahydrobromide monohydrate by taking a
solution of it (100 mg, 0.08 mmol) in EtOH (5 cm3) and
treating it with 48% HBr (100 lL) and allowing it to stir for
1 h. The solvent was evaporated and the residue was triturated
with ether. The light brown solid was collected by filtration
and dried under vacuum. Yield:(94 mg, 71%). (Found C, 55.8;
H, 7.2; N, 4.15. C77H114Br5N5O9 requires C, 55.94; H, 6.95;
N, 4.24%). [a]2D98 = -29.3° (c 0.008, EtOH).
[CdL3](ClO4)2ꢀ2Et2Oꢀ2H2O
A solution of cadmium(II) perchlorate hexahydrate(1.152 g,
3.0 mmol) in EtOH (20 cm3) was added dropwise over
5 min to a refluxing solution of L3 (1.911 g, 2.5 mmol) in
EtOH (63 cm3). A white precipitate formed instantly. The
suspension was left refluxing for 1 h, then cooled to RT. The
solvent was evaporated and trituration of the residue with
ether produced a light cream powder. This was collected by
filtration, washed with water (1 cm3) and dried under vac-
uum to give the pure product (1.831 g, 74%). (Found: C,
56.09; H, 7.09; N, 4.20. C73H107CdCl2N5O20 requires C,
56.28; H, 6.92; N, 4.50%). UV/vis (20% aqueous 1,4-diox-
ane): kmax/nm 388.7 (e/dm3 mol-1 cm-1 9596), 368.7
(10120), 350.3 (6678), 334.1 (3644), 320.4 (sh) (2038). 1H
NMR (DMSO-d6): d 8.90 (3H, br s, AnthH); 8.39 (2H, br s,
AnthH); 7.81 (4H, br s, AnthH); 7.35 (8H, br m, PhH);
7.4–6.6 (8H, br m, PhH); 5.6–2.0 (58H, br m, –OH, –CH–,
–CH2– and CH2 of ether); 2.30 (12H, br s, –CH3); 1.10 (6H,
m, CH3 of ether). 13C NMR (DMSO-d6): d 156.5 (2C, Ph,
ipso); 156.2 (2C, Ph, ipso); 131.1 (2C, Anth, ipso); 131.0
(2C, Anth, ipso); 130.0 (8C, Ph); 129.1 (4C, Ph); 128.6 (2C,
Anth, ipso); 127.6 (2C, Anth); 127.1 (2C, Anth); 126.2 (2C,
Anth); 125.2 (2C, Anth); 114.5 (8C, Ph); 72.0 (2C, OCH2);
Safety note: perchlorate salts are potentially explo-
sive. Although no problems were encountered in the
synthesis or use of the following compounds extreme
care should be taken when handling them.
[CdL2](ClO4)2ꢀ5H2O
A
solution of cadmium(II) perchlorate hexahydrate
(106 mg, 0.26 mmol) in dry EtOH (5 cm3) was added
123