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Ammonium Chloride → 2,4,5,6-Tetrachloro-1-(2-methoxy-ethoxymethyl)-1H-benzoimidazole

HRID 1521435
Notes
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Reaction equation

HRID 1521435 reaction equation
[Cl:1][C:2]1[C:10]2[N:9]=[CH:8][N:7]([CH2:11][O:12][CH2:13][CH2:14][O:15][CH3:16])[C:6]=2[CH:5]=[C:4]([Cl:17])[C:3]=1[Cl:18].C([N-]C(C)C)(C)C.[Li+].[Cl:27]N1C(=O)CCC1=O.[NH4+].[Cl-]>C1COCC1>[Cl:27][C:8]1[N:7]([CH2:11][O:12][CH2:13][CH2:14][O:15][CH3:16])[C:6]2[CH:5]=[C:4]([Cl:17])[C:3]([Cl:18])=[C:2]([Cl:1])[C:10]=2[N:9]=1
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 4

HCID 25517Ammonium ChlorideHCID 31398ChlorosuccinimideHCID 2724682Lithium diisopropylamideHCID 669373514,5,6-Trichloro-1-(2-methoxy-ethoxymethyl)-1H-benzoimidazole

Product 1

HCID 669374782,4,5,6-Tetrachloro-1-(2-methoxy-ethoxymethyl)-1H-benzoimidazole

Reagents, catalysts & solvents 1

HCID 8028
Tetrahydrofuran
Solvent
2×

Conditions

Temperature
-78 °C

Procedure

A solution of 4,5,6-trichloro-1-(2-methoxy-ethoxymethyl)-1H-benzoimidazole (0.388 g, 1.26 mmol) and THF (6 mL) was cooled to −78° C. in an acetone/dry ice bath. Lithium diisopropylamide (1.0 M solution in THF, 2.52 mL, 2.52 mmol) was added dropwise and the reaction mixture was stirred at −78° C. for 1 h. A solution of N-chlorosuccinimide (0.336 g, 2.52 mmol) and THF (2 mL) was added. The reaction mixture was warmed to 23° C. and stirred for 2 h. Saturated aqueous NH4Cl was added and the crude product was extracted with EtOAc. The combined organic layers were dried, filtered, and concentrated under reduced pressure. The residue was purified (FCC) to yield the titled compound as a mixture of regioisomers (0.267 g, 62%). MS (ESI/CI): mass calcd. for C11H10Cl4N2O2, 342.0; m/z found, 343.0 [M+H]+. 1H NMR (400 MHz, DMSO-d6): 8.18 (s, 1H), 8.03 (s, 1H), 5.88 (d, J=5.8 Hz, 2H), 5.71 (s, 2H), 3.71-3.66 (m, 2H), 3.64-3.61 (m, 2H), 3.44-3.38 (m, 4H), 3.17 (t, J=1.7 Hz, 6H).

Workup

  1. temperatureThe reaction mixture was warmed to 23° C.
  2. stirringstirred for 2 h
  3. extractionthe crude product was extracted with EtOAc
  4. customThe combined organic layers were dried
  5. filtrationfiltered
  6. concentrationconcentrated under reduced pressure
  7. customThe residue was purified (FCC)

Sources & evidence

ORD record
ord-de81dacb05f8444c8f4c2c7b7dde5c54
Source dataset
uspto-grants-2015_07
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US09073923B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes