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Dipropylamine → tert-Butyl (8-bromo-4-(dipropylcarbamoyl)-3H-benzo[b]azepin-2-yl)carbamate

HRID 38001
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 38001
[CH2:1]([NH:4][CH2:5][CH2:6][CH3:7])[CH2:2][CH3:3].CCN=C=NCCCN(C)C.C(N(C(C)C)CC)(C)C.[Br:28][C:29]1[CH:30]=[CH:31][C:32]2=[C:33]([CH:50]=1)[N:34]=[C:35]([NH:42][C:43]([O:45][C:46]([CH3:49])([CH3:48])[CH3:47])=[O:44])[CH2:36][C:37]([C:39](O)=[O:40])=[CH:38]2.C1C=CC2N(O)N=NC=2C=1>C(Cl)Cl.CCOCC>[Br:28][C:29]1[CH:30]=[CH:31][C:32]2=[C:33]([CH:50]=1)[N:34]=[C:35]([NH:42][C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:49])[CH3:48])[CH2:36][C:37]([C:39](=[O:40])[N:4]([CH2:5][CH2:6][CH3:7])[CH2:1][CH2:2][CH3:3])=[CH:38]2
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

8

Edukt 5

HCID 8902DipropylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 669596238-bromo-2-((tert-butoxycarbonyl)amino)-3H-benzo[b]azepine-4-carboxylic acid

Produkt 1

HCID 46928349
tert-Butyl (8-bromo-4-(dipropylcarbamoyl)-3H-benzo[b]azepin-2-yl)carbamate
Ausbeute 76,3 %

Reagenzien, Katalysatoren, Lösungsmittel 2

HCID 3283Diethyl EtherLösungsmittelHCID 6344DichloromethaneLösungsmittel

Reaktionsbedingungen

Temperatur
-15 °C

Versuchsvorschrift

To a solution of dipropylamine (2.16 ml, 15.7 mmol) in CH2Cl2 (50 mL) at −10° C. was added EDCI (3.02 g, 15.7 mmol) followed by diisopropylethylamine (2.97 ml, 17.1 mmol) over 5 min. The resulting mixture was stirred for 40 min at −15° C. To the reaction mixture was added (1E,4E)-8-bromo-2-(tert-butoxycarbonylamino)-3H-benzo[b]azepine-4-carboxylic acid (5.00 g, 13.1 mmol) followed by HOBt (2.13 g, 15.7 mmol) over 5 min maintaining the reaction temperature between −15 to −12° C. The resulting mixture was warmed to room temperature and stirred for 19 h. The reaction mixture was poured onto water (50 mL). The organic layer was separated and the aqueous layer was extracted with CH2Cl2 (50 mL). The combined organic layers were washed with sat'd aq NH4Cl (75 mL). The organic layer was separated. The sat'd aq NH4Cl solution was extracted with CH2Cl2 (50 mL) again. The combined organic layers were washed with sat'd aq NaHCO3 (2×75 mL) followed by brine (2×100 mL). The organic layer was dried over MgSO4, filtered, and concentrated under reduced pressure to give the crude material that was taken into ether (50 mL) and kept in the freezer for 16 h. The precipitates were filtered off and the filtrate was concentrated under reduced pressure to afford 4.64 g (76%) of tert-butyl (1E,4E)-8-bromo-4-(dipropylcarbamoyl)-3H-benzo[b]azepin-2-ylcarbamate. MS APCI(+) m/z 464, 466 (M+1, Br pattern) detected.

Aufarbeitung

  1. temperaturemaintaining the reaction temperature between −15 to −12° C
  2. temperatureThe resulting mixture was warmed to room temperature
  3. stirringstirred for 19 h
  4. additionThe reaction mixture was poured onto water (50 mL)
  5. customThe organic layer was separated
  6. extractionthe aqueous layer was extracted with CH2Cl2 (50 mL)
  7. washThe combined organic layers were washed with sat'd aq NH4Cl (75 mL)
  8. customThe organic layer was separated
  9. extractionThe sat'd aq NH4Cl solution was extracted with CH2Cl2 (50 mL) again
  10. washThe combined organic layers were washed with sat'd aq NaHCO3 (2×75 mL)
  11. dry with materialThe organic layer was dried over MgSO4
  12. filtrationfiltered
  13. concentrationconcentrated under reduced pressure
  14. customto give the crude material that
  15. waitkept in the freezer for 16 h
  16. filtrationThe precipitates were filtered off
  17. concentrationthe filtrate was concentrated under reduced pressure

Quellen und Nachweise

ORD-Eintrag
ord-8802a1986397473fa0d2a692c4da4aa3
Quelldatensatz
uspto-grants-2013_09
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US08524702B2

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