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Tetrahydrofuran → HCID 178518663, compound

HRID 1014705
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Reaction equation

HRID 1014705 reaction equation
Br[C:2]1[CH:17]=[CH:16][C:5]2[NH:6][C:7](C(OC(C)(C)C)=O)=[N:8][C:4]=2[CH:3]=1.BrC1C=C[C:22]2[NH:23][CH:24]=[N:25][C:21]=2C=1.C(OC(OC(C)(C)C)=O)([O:30][C:31](C)(C)[CH3:32])=O.C(N(CC)CC)C.C[N:51]([C:53]1[CH:58]=[CH:57][CH:56]=[CH:55][N:54]=1)[CH3:52].[O:59]1CCCC1>>[NH:6]1[C:5]2[CH:16]=[CH:17][C:2]([C:22]3[N:23]=[C:24]4[N:54]([CH2:55][CH:56]5[CH2:57][CH2:58][O:30][CH2:31][CH2:32]5)[C:53](=[O:59])[NH:51][C:52]4=[N:25][CH:21]=3)=[CH:3][C:4]=2[N:8]=[CH:7]1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 218852-DimethylaminopyridineHCID 90495Di-tert-butyl dicarbonateHCID 178419331HCID 178419331, compoundHCID 178450787tert-Butyl 5-bromo-1H-benzo[d]imidazole-2-carboxylate

Product 1

HCID 178518663
HCID 178518663, compound
Yield 54%

Procedure

tert-Butyl 5-bromo-1H-benzo[d]imidazole-2-carboxylate. A solution of 5-bromo-1H-benzimidazole (1.06 g, 5.38 mmol), di-tert-butyl dicarbonate (1.3 g, 5.91 mmol), triethylamine (0.9 mL, 6.45 mmol) and dimethylaminopyridine (few crystals) in anhydrous tetrahydrofuran (15 mL) was allowed to stir at room temperature overnight. The reaction mixture was concentrated under reduced pressure and the crude product was purified by Biotage chromatography (0-55% ethyl acetate in hexanes) to provide the desired product (0.85 g, 54%) as a white solid. MS (ESI) m/z 297.3 [M+1]+.

Workup

  1. concentrationThe reaction mixture was concentrated under reduced pressure
  2. customthe crude product was purified by Biotage chromatography (0-55% ethyl acetate in hexanes)

Sources & evidence

ORD record
ord-5965746d521e48448d808778af3131c2
Source dataset
uspto-grants-2011_07
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07981893B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes