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Hydrochloric Acid → (1r)-Cyclopropanecarboxylic acid {2-[1-(3-ethoxy-4-methoxy-phenyl)-3-hydroxy-3-methyl-butyl]-3-oxo-2,3-dihydro-1h-isoindol-4-yl}-amide

HRID 1787971
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Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 1787971
C(O[C:6](=[O:25])[NH:7][C@@H:8]([C:14]1[CH:19]=[CH:18][C:17]([O:20][CH3:21])=[C:16]([O:22][CH2:23][CH3:24])[CH:15]=1)[CH2:9][C:10]([OH:13])([CH3:12])[CH3:11])(C)(C)C.Cl.O1CCOCC1.COC(=O)[C:36]1[C:41]([NH:42][C:43]([CH:45]2[CH2:47][CH2:46]2)=[O:44])=[CH:40][CH:39]=[CH:38][C:37]=1[CH2:48]Br.C(N(CC)CC)C>C(Cl)Cl.CN(C=O)C>[CH2:23]([O:22][C:16]1[CH:15]=[C:14]([C@H:8]([N:7]2[C:6](=[O:25])[C:36]3[C:37](=[CH:38][CH:39]=[CH:40][C:41]=3[NH:42][C:43]([CH:45]3[CH2:47][CH2:46]3)=[O:44])[CH2:48]2)[CH2:9][C:10]([OH:13])([CH3:11])[CH3:12])[CH:19]=[CH:18][C:17]=1[O:20][CH3:21])[CH3:24]
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Komponenten

8

Edukt 5

HCID 313Hydrochloric AcidHCID 8471TriethylamineHCID 312751,4-DioxaneHCID 669203212-Bromomethyl-6-(cyclopropanecarbonyl-amino)-benzoic acid methyl esterHCID 68687518(R)-[1-(3-ethoxy-4-methoxy-phenyl)-3-hydroxy-3-methyl-butyl]-carbamic acid tert-butyl ester

Produkt 1

HCID 10253337
(1r)-Cyclopropanecarboxylic acid {2-[1-(3-ethoxy-4-methoxy-phenyl)-3-hydroxy-3-methyl-butyl]-3-oxo-2,3-dihydro-1h-isoindol-4-yl}-amide
Ausbeute 52,6 %

Reagenzien, Katalysatoren, Lösungsmittel 2

HCID 6228DimethylformamideLösungsmittelHCID 6344DichloromethaneLösungsmittel

Reaktionsbedingungen

Temperatur
80 °C

Versuchsvorschrift

To a solution of (1R)-[1-(3-ethoxy-4-methoxy-phenyl)-3-hydroxy-3-methyl-butyl]-carbamic acid tert-butyl ester (150 mg, 0.42 mmol) in methylene chloride (5 mL) was added a solution of HCl in dioxane (0.5 mL, 4N, 2 mmol). After 2 hrs, the solvent was removed and the crude oil was used in the next step without further purification. A mixture of the resulted oil, 2-bromomethyl-6-(cyclopropanecarbonyl-amino)-benzoic acid methyl ester (130 mg, 0.42 mmol) and triethyl amine (0.12 mL, 0.86 mmol) in DMF (3 mL) was heated at 80° C. for 27 hrs. The solvent was removed in vacuo. The residue was extracted with ethyl acetate (50 mL) and 1N HCl (50 mL). The organic layer washed with 1N HCl (50 mL), brine (50 mL), and dried over MgSO4. The solvent was removed in vacuo. The residue was purified with Preparative HPLC to give (1R)-cyclopropanecarboxylic acid {2-[1-(3-ethoxy-4-methoxy-phenyl)-3-hydroxy-3-methyl-butyl]-3-oxo-2,3-dihydro-1H-isoindol-4-yl}-amide (100 mg, 51% yield): mp, 90-92° C.; 1H NMR (CDCl3) δ 0.85-0.93 (m, 2H, CH2), 1.08-1.13 (m, 2H, CH2), 1.25 (s, 3H, CH3), 1.34 (s, 3H, CH3), 1.45 (t, J=7 Hz, 3H, CH3), 1.67-1.74 (m, 1H, CHG), 2.18 (dd, J=4, 14 Hz 1H, CHH), 2.32 (dd, J=9, 14 Hz, 1H, CHH). 2.38 (s, 1H, OH), 3.86 (s, 3H, CH3), 3.94 (d, J=17 Hz, 1H, NCHH), 4.07 (q, J=7 Hz, 2H, CH2), 4.36 (d, J=17 Hz, 1H, NCHH), 5.70 (dd, J=4, 9 Hz, 1H, NCH), 6.82-6.99 (m, 4H, Ar), 7.41 (t, J=8 Hz, 1H, Ar), 8.42 (d, J=8 Hz, 1H, Ar), 10.58 (s, 1H, NH); 13C NMR (CDCl3) δ 8.27, 14.78, 16.19, 29.98, 30.22, 43.95, 46.13, 50.96, 55.98, 64.60, 70.02, 111.43, 112.90, 116.71, 117.51, 117.69, 119.72, 132.48, 133.16, 137.99, 141.50, 148.50, 149.12, 169.63, 172.72; Anal Calcd for C26H32N2O5+1.1H2O: C, 66.11; H, 7.30; N, 5.93. Found: C, 65.73; H, 6.90; N, 5.82.

Aufarbeitung

  1. customthe solvent was removed
  2. customthe crude oil was used in the next step without further purification
  3. customThe solvent was removed in vacuo
  4. extractionThe residue was extracted with ethyl acetate (50 mL) and 1N HCl (50 mL)
  5. washThe organic layer washed with 1N HCl (50 mL), brine (50 mL)
  6. dry with materialdried over MgSO4
  7. customThe solvent was removed in vacuo
  8. customThe residue was purified with Preparative HPLC

Quellen und Nachweise

ORD-Eintrag
ord-279cb84dce154745ade796a5c6811e57
Quelldatensatz
uspto-grants-2009_03
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US07511072B2

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