2516
I. DUTTAGUPTA ET AL.
(brm, 0.29H), 3.80 (dd, 0.29H, J ¼ 16.5,5 Hz), 3.72 (dd, 0.71H, J ¼ 17.5, 4 Hz),
2.46–2.60 (m, 2H), 2.28–2.33 (m, 1H), 2.13–2.21 (m, 1H), 1.20–1.51 (m, 36H); 13C
NMR (125 MHz, CDCl3) d 167.4, 167.2, 166.8, 166.6, 155.6, 153.7, 153.1, 129.4,
127.4, 127.0, 82.1, 82.0, 81.8, 81.6, 81.1, 80.9, 80.1, 49.0, 47.9, 32.2, 32.0, 29.8,
29.4, 28.7, 28.5, 28.4, 28.1, 27.9, 22.1; HRMS (ESI) (M þ Na)þ calculated for
C26H44N2O8Naþ ¼ 535.2995 found 535.2993.
General Procedure for Hydrogenolysis (10a): Tetra-tert-butyl
1,2-Diazocane-1,2,3,3-tetracarboxylate, 10a
To a solution of 8a (0.41 g, 0.8 mmol) in methanol (10 ml), 10% Pd=C (20 mg)
was added, and the resulting mixture was then stirred under hydrogen atmosphere
(1 atm) for 4 h. The reaction was monitored by TLC. Methanol was removed
followed by celite filtration with DCM provided the pure compound (0.407 g,
0.79 mmol) in almost quantitative yield.
1H NMR (500 MHz, CDCl3) d 3.98 (br s, 0.50H), 3.70–3.78 (br m, 0.50H),
3.08–3.30 (br m, 1H), 2.26–2.29 (m, 1H), 1.88–2.02 (m, 1H), 1.62–1.71 (m, 5H),
1.25–1.67 (m, 43H); 13C NMR (125 MHz, CDCl3) d 167.7, 167.2, 166.7, 155.3,
153.3, 82.2, 82.0, 81.4, 81.1, 80.6, 73.5, 50.6, 48.6, 34.4, 33.1, 28.4, 28.4, 28.3, 28.3,
28.2, 28.0, 26.5, 25.8, 25.4, 25.1; HRMS (ESI) (M þ Na)þ calculated for
C26H46N2O8Naþ 537.3152; found 537.3152.
General Procedure for tert-Butyl Group Deprotection (4):
1,2-Diazocane-3-carboxylic Acid, 4[1]
A solution of 10a (0.35 g, 0.68 mmol) in 30% TFA in DCM (8 ml) was stirred at
0 ꢁC for 6 h. Removal of TFA and DCM gave eight-membered free acid 4 (0.257 g,
0.66 mmol) in 97% yield.
1H NMR (500 MHz, CD3OD) d 3.702–3.734 (q, 1H, J ¼ 6.5), 3.053–3.112 (m,
2H), 2.187 (s, 1H), 1.893–1.957 (brm, 3H), 1.812 (brs, 2H), 1.643 (s, 2H), 1.264–1.313
(m, 1H); 13C NMR (125 MHz, CD3OD) d 174.6, 59.4, 49.4, 48.1, 48.0, 47.8, 47.6,
47.5, 47.3, 47.1, 26.1, 24.9, 24.4, 22.2 ; HRMS (ESI) (M þ H)þ calculated for
C7H15N2Oþ2 159.1134; found 159.1127.
General Procedure for Diasterioisomer Formation (Esterification
with L-Phenylalaninol) (16)
(2-(tert-Butoxycarbonylamino)-3-phenylpropyl)-1,2-di-tert-butyl-pyra-
zolidine-1,2,3-tricarboxylate, 16. A mixture of 13 (0.03 g, 0.095 mmol), NBoc-L-
phenylalaninol (0.026 g, 0.10 mmol), EDC (0.02 g, 0.10 mmol), and DMAP (2 mg,
0.01 mmol) in dry DCM (3 ml) was stirred for 4 h at 4 ꢁC. The resulting dicyclohex-
ylurea was removed by filtration, and the filtrate was concentrated under
reduced pressure. The residue was purified by flash chromatography to separate
the two diastereoisomers 16a and 16b (overall yield 87%, 6.7 mg, 0.007 mmol,
mixture). Compound 16a: Yield 38% (0.02 g, 0.036 mmol of 16a) from 0.03 g,
0.09 mmol of 13.