PAPER
Click Reactions with Nitroxides
1339
40 °C in DMSO (8 mL) and kept at this temperature until complete
consumption of starting materials was observed (indicated by TLC;
30–60 min). The solution was diluted with H2O (30 mL) and the
precipitate was filtered and purified further by flash column chro-
matography. When no precipitation occurred, the mixture was ex-
tracted with EtOAc (2 × 10 mL) and the organic phase was dried
(MgSO4), filtered and evaporated. The residue was purified by flash
column chromatography (CHCl3–Et2O, 2:1 or CHCl3–MeOH, 9:1)
to yield compounds 13, 15, 16, 18, 20 or 22 as solids in 32–79%
yields.
Yield: 538 mg (32%); beige solid; mp 220–222 °C; Rf = 0.50
(CHCl3–MeOH, 4:1); [a]D25 +63 (c 0.17, MeOH).
IR (Nujol): 3350 (OH), 1655 (C=C) cm–1.
MS (ESI): m/z = 843 [M + H]+.
Anal. Calcd for C50H64N7O5: C, 71.23; H, 7.65; N, 11.63. Found: C,
71.05; H, 7.54; N, 11.68.
Method B: A mixture of diazide 8 (125 mg, 0.5 mmol), a-ethy-
nylestradiol 12 (296 mg, 1.0 mmol), sodium L-ascorbate (217 mg,
1.1 mmol) and 10% aq CuSO4 (0.16 mL, 0.1 mmol) in DMF (7 mL),
was stirred under N2 at r.t. for 2 h. The mixture was poured onto a
H2O-ice mixture (30 mL) and allowed to reach r.t. The mixture was
filtered and the collected solid was washed with H2O (10 mL). The
solid was dried at r.t. then dissolved in a mixture of CHCl3–MeOH
(2:1, 30 mL), MnO2 (43 mg, 0.5 mmol) was added and O2 was bub-
bled through for 15 min. The MnO2 was filtered off and the solvent
was removed under vacuum to afford compound 16 with the same
spectroscopic and physical data as listed above for Method A.
4-{1-(1-Oxyl-2,2,6,6-tetramethylpiperidin-4-yl)-1H-[1,2,3]tri-
azol-4-yl}-2,2,6,6-tetramethyl-1,2,3,6-tetrahydropyridin-1-yl-
oxyl Biradical (11)
Compounds 1 (2.0 mmol, 394 mg) and 3 (356 mg, 2.0 mmol) were
used to obtain compound 11, which was purified by column chro-
matography (CHCl3–Et2O, 2:1).
Yield: 420 mg (56%); pink solid; mp 129–132 °C; Rf = 0.23
(CHCl3–Et2O, 2:1).
IR (Nujol): 1675 (C=N), 1650 (C=C) cm–1.
Yield: 307 mg (73%); beige solid.
ESR (10–4 M solution in H2O containing 1% MeOH) consisted of
11 lines of 5:12:13:1:5:12:5:1:13:12:5 intensity ratio.
MS (EI): m/z (%) = 375 (8) [M+], 346 (22), 330 (20), 140 (80), 74
Methyl (S)-2-tert-Butoxycarbonylamino-3-[{1-(1-oxyl-2,2,6,6-
tetramethylpiperidin-4-yl)-1H-[1,2,3]triazol-4-yl}methyl-
thio]propionate Radical (18)
Compounds 1 (2.0 mmol, 394 mg) and 17 (546 mg, 2.0 mmol) were
used to obtain compound 18, which was purified by column chro-
matography (CHCl3–MeOH, 9:1).
(100).
Anal. Calcd for C20H33N5O2: C, 63.97; H, 8.86; N, 18.65. Found: C,
64.05; H, 8.75; N, 18.53.
Yield: 742 mg (79%); pink solid; mp 101–103 °C; Rf = 0.28
(CHCl3–MeOH, 9:1); [a]D25 –7 (c 0.17, MeOH).
IR (Nujol): 3400 (NH), 1740, 1700 (C=O) cm–1.
17-{4-(1-Oxyl-2,2,6,6-tetramethylpiperidin-4-yl)-1H-[1,2,3]tri-
azol-4-yl}-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-
cyclopenta[a]phenanthren-3,17-diol Radical (13)
MS (ESI): m/z = 471 [M + H]+.
Compounds 1 (2.0 mmol, 394 mg) and 12 (592 mg, 2.0 mmol) were
used to obtain compound 13, which was purified by column chro-
matography (CHCl3–MeOH, 9:1).
Anal. Calcd for C21H36N5O5S: C, 53.60; H, 7.71; N, 14.88. Found:
C, 53.53; H, 7.64; N, 14.75.
Yield: 424 mg (43%); orange solid; mp 162–164 °C; Rf = 0.33
(CHCl3–MeOH, 9:1); [a]D25 +31 (c 0.16, MeOH).
IR (Nujol): 3300 (OH), 1610, 1580 (C=C) cm–1.
MS (EI): m/z (%) = 493 (2) [M+], 476 (7), 270 (34), 140 (80), 41
(100).
1-b-D-{4-(1-Oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-
yl)-1H-[1,2,3]triazol-1-yl}-2,3,4,6-tetra-O-acetylglucopyranose
Radical (20)
Compounds 4 (328 mg, 2.0 mmol) and 19 (746 mg, 2.0 mmol) were
used to obtain compound 20.
Yield: 730 mg (68%); pale-yellow solid; mp 88–89°C; Rf = 0.34
(CHCl3–MeOH, 9:1); [a]D25 –50 (c 0.18, MeOH).
IR (Nujol): 1760, 1750 (C=O), 1630 (C=C) cm–1.
Anal. Calcd for C29H41N4O3: C, 70.56; H, 8.37; N, 11.35. Found: C,
70.48; H, 8.44; N, 11.33.
MS (ESI): m/z = 538 [M + H]+.
4-{4-(17-Hydroxy-3-methoxy-13-methyl-
7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenan-
thren-17-yl)-1H-[1,2,3]triazol-1-yl}-2,2,6,6-tetramethylpiperi-
din-1-yloxyl Radical (15)
Anal. Calcd for C24H33N4O10: C, 53.63; H, 6.19; N, 10.24. Found:
C, 53.80; H, 6.11; N, 10.41.
Compounds 1 (2.0 mmol, 394 mg) and 14 (620 mg, 2.0 mmol) were
used to obtain compound 15.
Ethyl 2-tert-Butoxycarbonylamino-3-{4-[4-(1-oxyl-2,2,5,5-tet-
ramethyl-2,5-dihydro-1H-pyrrol-3-yl)-1H-[1,2,3]triazol-1-
yl]phenyl}propionate Radical (22)
Reaction of D/L-amino acid 21 (468 mg, 2.0 mmol) and compound
4 (328 mg, 2.0 mmol) afforded a brown residue after work-up.
Chromatographic purification (CHCl3–Et2O, 2:1) gave compound
22.
Yield: 608 mg (60%); orange solid; mp 106–108 °C; Rf = 0.41
(CHCl3–MeOH, 9:1); [a]D25 +29 (c 0.16, MeOH).
IR (Nujol): 3300 (OH), 1610, 1590 (C=C) cm–1.
MS (EI): m/z (%) = 507 (1) [M+], 492 (5), 284 (5), 227 (100), 124
(55), 41 (59).
Yield: 637 mg (64%); pale-yellow solid; mp 125–126 °C; Rf = 0.35
(CHCl3–Et2O, 2:1).
IR (Nujol): 3280 (NH), 1700, 1695 (C=O), 1620 (C=C) cm–1.
Anal. Calcd for C30H43N4O3: C, 70.97; H, 8.54; N, 11.04. Found: C,
70.88; H, 8.62; N, 10.95.
MS (ESI): m/z = 499 [M + H]+.
3,4-Bis-{4-(3,17-dihydroxy-13-methyl-
7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenan-
thren-17-yl)-1H-[1,2,3]triazol-1-ylmethyl}-2,2,5,5-tetramethyl-
2,5-dihydro-1H-pyrrol-1-yloxyl Radical (16)
Anal. Calcd for C26H36N5O5: C, 62.63; H, 7.28; N, 14.05. Found: C,
62.58; H, 7.14; N, 14.10.
Method A: Compounds 8 (2.0 mmol, 500 mg) and 12 (1.18 g, 4.0
mmol) were used to obtain compound 16.
Synthesis 2009, No. 8, 1336–1340 © Thieme Stuttgart · New York