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Triethylamine → tert-butyl (S)-1-((3R,3aR,6aR)-3-hydroxydihydro-2H-furo[3,2-b]pyrrol-4(5H,6H, 6aH)-yl)-4,4-dimethyl-1-oxopentan-2-ylcarbamate

HRID 555247
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Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 555247
F[C:2](=[O:17])[C@@H:3]([NH:9][C:10](=[O:16])[O:11][C:12]([CH3:15])([CH3:14])[CH3:13])[CH2:4][C:5]([CH3:8])([CH3:7])[CH3:6].Cl.[O:19]1[C@H:26]2[C@H:22]([NH:23][CH2:24][CH2:25]2)[C@@H:21]([OH:27])[CH2:20]1.C(N(CC)CC)C>CN(C)C=O>[OH:27][C@@H:21]1[C@H:22]2[N:23]([C:2](=[O:17])[C@@H:3]([NH:9][C:10](=[O:16])[O:11][C:12]([CH3:15])([CH3:14])[CH3:13])[CH2:4][C:5]([CH3:8])([CH3:7])[CH3:6])[CH2:24][CH2:25][C@H:26]2[O:19][CH2:20]1
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Komponenten

5

Edukt 3

HCID 8471TriethylamineHCID 66986936(3R,3aR,6aR)-hexahydro-2H-furo[3,2-b]pyrrol-3-ol hydrochlorideHCID 86644674(S)-tert-butyl 1-fluoro-4,4-dimethyl-1-oxopentan-2-ylcarbamate

Produkt 1

HCID 86644673tert-butyl (S)-1-((3R,3aR,6aR)-3-hydroxydihydro-2H-furo[3,2-b]pyrrol-4(5H,6H, 6aH)-yl)-4,4-dimethyl-1-oxopentan-2-ylcarbamateAusbeute 57 %

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 6228
Dimethylformamide
Lösungsmittel

Versuchsvorschrift

Preparation of tert-Butyl (S)-1-((3R,3aR,6aR)-3-hydroxydihydro-2H-furo[3,2-b]pyrrol-4(5H,6H,6aH)-yl)-4-dimethyl-1-oxopentan-2-ylcarbamate. A solution of (S)-tert-butyl 1-fluoro-4,4-dimethyl-1-oxopentan-2-ylcarbamate (0.69 g, 2.80 mmol) in dimethylformamide (10 mL) was added under argon to (3R,3aR,6aR)-hexahydro-2H-furo[3,2-b]pyrrol-3-ol hydrochloride (prepared as above with appropriate scaling of quantities, assumed to be 2.67 mmol). The mixture was stirred for 5.25 hours (a 0.2 mL aliquot was removed after 4.5 hours) then triethylamine (0.37 mL, 2.66 mmol) was added dropwise over 1 minute. The mixture was stirred for 15 minutes then the solvents removed in vacuo to leave a brown oily residue. Flash chromatography over silica, eluting with ethyl acetate:pentane mixtures 20:80 to 80:20 gave tert-butyl (S)-1-((3R,3aR,6aR)-3-hydroxydihydro-2H-furo[3,2-b]pyrrol-4(5H,6H, 6aH)-yl)-4,4-dimethyl-1-oxopentan-2-ylcarbamate as a white solid (540 mg, 57%). TLC (Rf=0.30, EtOAc:heptane 3:1), analytical HPLC doublet main peak, Rt=14.02 and 14.27 min., HPLC-MS 301.2 [M+2H-tBu]+, 357.3 [M+H]+, 379.2 [M+Na], 735.5 [2M+Na]+; [α]D16.5 −37.2° (c=4.97, CHCl3); δH (500 MHz, CDCl3) mixture of rotamers major:minor 3:2; 0.95 (9H, s, CH2C(CH3)3), 1.39 (9H, s, OC(CH3)3), 1.38-1.52 (1.4H, m, CH2C(CH3)3), 1.58 (0.6H, dd, J=14.63 and 9.24 Hz, CH2C (CH3)3), 1.74-1.82 (0.6H, m, NCH2CH2CH major), 2.03 (1H, dd, J=13.83 and 6.15 Hz, NCH2CH2CH major), 1.96-2.06 (0.4H, m, NCH2CH2CH minor), 2.15 (0.4H, dd, J=13.85 and 6.35 Hz, NCH2CH2CH minor), 3.06 (0.4H, d, J=2.08 Hz, OH minor), 3.21-3.27 (0.6H, m, NCH2CH2CH major), 3.39-3.46 (0.4H, m, NCH2CH2CH minor), 3.46-3.51 (0.6H, m, OCH2CHOH major), 3.61 (0.4H, dd, J=9.62 and 5.52 Hz, OCH2CHOH minor), 3.85 (0.6H, dd, J=11.89 and 8.52 Hz, NCH2CH2CH major), 3.91 (0.4H, brt, J=9.21 Hz, NCH2CH2CH minor), 4.02 (0.4H, dd, J=9.60 and 5.73 Hz, OCH2CHOH minor), 4.14-4.24 (2.6H, m, OCH2CHOHCH and 1×OCH2CHOH major), 4.48-4.53 (0.4H, m, CHCH2C(CH3)3 minor), 4.65-4.75 (1.6H, m, NCH2CH2CH and CHCH2C(CH3)3 major), 5.10 (0.4H, d, J=9.31 Hz, NH minor), 5.23 (0.6H, d, J=10.22 Hz, NH major), 5.53 (0.6H, d, J=4.93 Hz, OH major); δC (125 MHz, CDCl3) 28.26/28.35 (OC(CH3)3), 29.72/29.84 (CH2C(CH3)3), 29.96/31.57 (NCH2CH2CH), 30.54/30.63 (CH2C(CH3)3), 44.01/45.52 (NCH2CH2CH) 46.18/47.02 (CH2C(CH3)3), 49.32/49.41 (CHCH2C(CH3)3), 71.09/71.35 (NCH2CH2CHCH), 73.03/73.96 (OCH2CHOH), 77.21/79.61 (CHOH), 79.76/80.79 (OC(CH3)3), 81.02/83.43 (NCH2CH2CH), 155.24/156.10 (Boc C═O), 172.22/172.87 (CH2NC═O).

Aufarbeitung

  1. additionwas added dropwise over 1 minute
  2. stirringThe mixture was stirred for 15 minutes
  3. customthe solvents removed in vacuo
  4. customto leave a brown oily residue
  5. washFlash chromatography over silica, eluting with ethyl acetate

Quellen und Nachweise

ORD-Eintrag
ord-18b8388df4904fc981feccd30898d88e
Quelldatensatz
uspto-grants-2011_11
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US08053437B2

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