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Hydrochloric Acid → HCID 57942170, Verbindung

HRID 1438454
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 1438454
Br[C:2]1[C:7]([N:8](COC)[S:9]([C:12]2[CH:17]=[CH:16][C:15]([C:18]([CH3:21])([CH3:20])[CH3:19])=[CH:14][CH:13]=2)(=[O:11])=[O:10])=[CH:6][C:5]([Cl:25])=[CH:4][N:3]=1.[CH3:26][O:27][C:28]1[CH:29]=[C:30]([CH:37]=[CH:38][CH:39]=1)[C:31](N(OC)C)=[O:32].Cl.O1CCOCC1>O.CCOC(C)=O>[C:18]([C:15]1[CH:14]=[CH:13][C:12]([S:9]([NH:8][C:7]2[C:2]([C:31](=[O:32])[C:30]3[CH:37]=[CH:38][CH:39]=[C:28]([O:27][CH3:26])[CH:29]=3)=[N:3][CH:4]=[C:5]([Cl:25])[CH:6]=2)(=[O:11])=[O:10])=[CH:17][CH:16]=1)([CH3:20])([CH3:19])[CH3:21]
KomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

7

Edukt 4

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 14973054N,3-Dimethoxy-N-methylbenzamideHCID 57942088N-(2-bromo-5-chloro-pyridin-3-yl)-4-tert-butyl-N-methoxymethyl-benzenesulfonamide

Produkt 1

HCID 57942170HCID 57942170, Verbindung

Reagenzien, Katalysatoren, Lösungsmittel 2

HCID 962
Water
Lösungsmittel
HCID 8857Ethyl AcetateLösungsmittel

Versuchsvorschrift

N-(2-Bromo-5-chloro-pyridin-3-yl)-4-tert-butyl-N-methoxymethyl-benzenesulfonamide (140 mg, 300 mmol) was placed in a dry 2-neck 10 mL round-bottom flask. The flask was evacuated and purged with nitrogen, followed by the addition of THF (1 mL). The homogeneous mixture was lowered to −5° C. and iPrMgCl (0.33 mL, 2.0 M) was added dropwise. Upon completion of the addition, the reaction was stirred 90 minutes, followed by the slow addition of 3,N-dimethoxy-N-methyl-benzamide (146 mg, 750 mmol). The reaction was stirred overnight, during which the ice-bath warmed to room temperature. The following day, the reaction was quenched with a small quantity of MeOH and the solvents evaporated in vacuo. The residue was subsequently treated with 4.0 M HCl in dioxane (1 mL, 4.0 mmol) and H2O (0.33 mL), and then stirred at 80° C. for two hours. The resultant solution was diluted with EtOAc, washed with water, saturated sodium bicarbonate, and brine; dried with MgSO4, and evaporated employing reduced pressure. The crude residue was subsequently purified via reverse phase HPLC (Column: Varian Dynamax 250×21.4 mm Microsorb100-8 C18, 0.1% TFA/H2O (Eluent A): 0.1% TFA/MeCN (Eluent B)): 1H NMR (400 MHz, CDCl3) δ 10.61 (s, 1 H), 8.29 (d, 1 H), 8.20 (d, 1 H), 7.74 (d, 2H), 7.58 (s, 1 H), 7.50 (d, 1 H), 7.42 (d, 2H), 7.37 (d, 1 H), 7.29 (t, 1 H), 2.40 (s, 3H), 1.25 (s, 9H); MS (ES) M+H expect 459.1, found 459.5.

Aufarbeitung

  1. customThe flask was evacuated
  2. custompurged with nitrogen
  3. additionfollowed by the addition of THF (1 mL)
  4. customwas lowered to −5° C.
  5. additioniPrMgCl (0.33 mL, 2.0 M) was added dropwise
  6. additionUpon completion of the addition
  7. customThe following day, the reaction was quenched with a small quantity of MeOH
  8. customthe solvents evaporated in vacuo
  9. stirringstirred at 80° C. for two hours
  10. washwashed with water, saturated sodium bicarbonate, and brine
  11. dry with materialdried with MgSO4
  12. customevaporated
  13. customThe crude residue was subsequently purified via reverse phase HPLC (Column: Varian Dynamax 250×21.4 mm Microsorb100-8 C18, 0.1% TFA/H2O (Eluent A): 0.1% TFA/MeCN (Eluent B))

Quellen und Nachweise

ORD-Eintrag
ord-4c961cbb4783422396e702b6174b78ba
Quelldatensatz
uspto-grants-2009_11
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US07622583B2

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