Molecules 2013, 18
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1-[4-(3-Methoxypropoxy)benzyl]-5-oxo-L-prolyl-L-histidine (19b). Prepared from compound 18b as a
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colorless oil in 99% yield. Rf 0.11 in EtOAc–MeOH, 1:1. [α]D +11.5 (c 1, MeOH). H-NMR
(CD3OD): δ 8.75 (s, 1H, NCHN), 7.32 (s, 1H, NCHNC), 7.04 (d, J = 8.5 Hz, 2H, Ph), 6.85 (d, J = 8.5 Hz,
2H, Ph), 4.88 (d, J = 14.8 Hz, 1H, NCHHPh), 4.75–4.65 (m, 1H, NHCHCOO), 4.04–3.98 (m, 1H,
NCHCO), 4.01 (t, J = 6.3 Hz, 2H, PhOCH2), 3.63 (d, J = 14.8 Hz, 1H, NCHHPh), 3.54 (t, J = 6.2 Hz,
2H, CH2OCH3), 3.33 (s, 3H, OCH3), 3.28–3.03 (m, 2H, CH2CN), 2.53–1.93 (m, 6H, 3 × CH2).
13C-NMR: δ 178.3 (NCO), 173.7, 160.2, 135.2, 132.1, 131.0, 130.7, 128.9, 118.2, 115.8, 70.3
(CH2OCH3), 65.9 (PhOCH2), 61.2 (NCH), 58.9 (OCH3), 53.4 (CHCOOH), 45.8 (NCH2Ph), 30.9, 30.6,
28.4, 24.2. MS (ESI): m/z = 445 (100) (M+Η+). Anal. calcd for C22H28N4O6: C, 59.45; H, 6.35; N,
12.61 Found: C, 59.52; H, 6.37; N, 12.50.
1-[4-(4-Methoxybutoxy)benzyl]-5-oxo-L-prolyl-L-histidine (19c). Prepared from compound 18c as a
colorless oil in 92% yield. Rf 0.16 in EtOAc–MeOH, 1:1. [α]D +6.9 (c 1, MeOH). 1H-NMR (CD3OD):
δ 8.84 (s, 1H, HNCHN), 7.36 (s, 1H, NCCHN), 7.04 (d, J = 8.5 Hz, 2H, Ph), 6.85 (d, J = 8.5 Hz, 2H,
Ph), 4.89 (d, J = 14.7 Hz, 1H, NCHHPh), 4.80–4.73 (m, 1H, NHCHCOO), 4.02–3.96 (m, 1H, NCH),
3.95 (t, J = 5.4 Hz, 2H, PhOCH2), 3.63 (d, J = 14.7 Hz, 1H, NCHHPh), 3.45 (t, J = 6.1 Hz, 2H,
CH2OCH3), 3.33 (s, 3H, CH3), 3.17–3.05 (m, 2H, CH2CNH), 2.49-1.96 (m, 4H, 2 × CH2), 1.84–1.65
(m, 4H, (OCH2CH2)2). 13C-NMR: δ 178.2 (NCO), 173.9, 160.3, 135.2, 131.8, 131.1, 130.7, 128.8,
118.3, 115.8, 73.5 (CH2OCH3), 68.9 (PhOCH2), 61.1 (NCH), 58.8 (OCH3), 52.9 (CHCOOH), 45.8
(NCH2Ph), 30.8, 28.0, 27.3, 27.2, 24.1. MS (ESI): m/z = 459 (100) (M+Η+). Anal. calcd for
C23H30N4O6: C, 60.25; H, 6.59; N, 12.12 Found: C, 60.32; H, 6.47; N, 12.30.
Methyl 1-(4-Hydroxybenzyl)-5-oxo-L-prolinate (21). Prepared from compound 20 as a colorless oil in
99% yield. Rf 0.69 in EtOAc. [α]D +35.5 (c 1.1, CHCl3). 1H-NMR (CDCl3): δ 7.03 (d, J = 7.5 Hz, 2H,
Ph), 6.80 (d, J = 7.5 Hz, 2H, Ph), 4.89 (d, J = 14.5 Hz, 1H, NCHHPh), 4.02–3.91 (m, 2H, NCHHPh,
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NCH), 3.67 (s, 3H, CH3), 2.55–2.04 (m, 4H, 2xCH2). C-NMR: δ 175.7 (NCO), 172.2 (COOCH3),
156.3, 130.0, 126.5, 115.7, 58.9 (NCH), 52.5 (COOCH3), 45.3 (NCHPh), 29.8, 22.7. MS (ESI):
m/z = 250 (97) (M+Η+). Anal. calcd for C13H15NO4: C, 62.64; H, 6.07; N, 5.62 Found: C, 62.59; H, 6.17;
N, 5.54.
1-(4-{[(4R)-3-(tert-Butoxycarbonyl)-2,2-dimethyl-1,3-oxazolidin-4-yl]methoxy}benzyl)-5-oxo-L-prolyl-
L-histidine (25). Prepared from compound 24 as a colorless oil in 97% yield. Rf 0.18 in
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EtOAc–MeOH, 1:1. [α]D −24.9 (c 0.8, MeOH). H-NMR (CD3OD): δ 8.90 (s, 1H, HNCHN), 7.40 (s,
1H, HNCHNCH), 7.05 (d, J = 8.3 Hz, 2H, Ph), 6.93 (d, J = 8.3 Hz, 2H, Ph), 4.87–4.75 (m, 2H,
CHCOOH, NCHHPh), 4.17–3,81 (m, 6H, NCHCO, PhOCH2CHCH2O), 3.64 (d, J = 15.0 Hz, 1H,
NCHHPh), 3.41–3.06 (m, 2H,HOOCCHCH2), 2.58–1.94 (m, 4H, 2xCH2), 1.58–1.45 (m, 15H, 5 × CH3).
13C-NMR: δ 173.9 (NCO), 172.8, 159.8, 153.4 (NCOO), 135.3, 131.5, 130.8, 129.5, 129.3, 118.4,
115.9, 95.0 (NC(CH3)2O), 82.2 (C(CH3)3), 67.3, 66.2, 61.1 (NCHCO), 57.5 (PhOCH2), 52.5
(NHCHCOOH), 45.8 (NCH2Ph), 30.8, 28.8 (CH3), 27.9, 27.7, 24.5, 24.2. MS (ESI): m/z = 586 (100)
(M+Η+). Anal. calcd for C29H39N5O8: C, 59.47; H, 6.71; N, 11.96 Found: C, 59.52; H, 6.68; N, 12.05.