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Water → HCID 19786596, compound

HRID 1196591
Notes
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Reaction equation

HRID 1196591 reaction equation
[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[C:12]2[C:13](=[O:17])[CH2:14][CH2:15][CH2:16][C:11]=2[O:10][N:9]=1.C([N-]C(C)C)(C)C.[Li+].Cl[C:27]([O:29][CH3:30])=[O:28].O>O1CCCC1.C(OCC)(=O)C>[C:27]([CH:14]1[C:13](=[O:17])[C:12]2[C:8]([C:3]3[CH:4]=[CH:5][CH:6]=[CH:7][C:2]=3[F:1])=[N:9][O:10][C:11]=2[CH2:16][CH2:15]1)([O:29][CH3:30])=[O:28]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 4

HCID 962WaterHCID 6586Methyl chloroformateHCID 2724682Lithium diisopropylamideHCID 19786555HCID 19786555, compound

Product 1

HCID 19786596HCID 19786596, compound

Reagents, catalysts & solvents 2

HCID 8028TetrahydrofuranSolvent
HCID 8857Ethyl AcetateSolvent

Conditions

Temperature
-78 °C

Procedure

In a 600 ml anhydrous tetrahydrofuran was dissolved 6,7-dihydro-3-(2-fluorophenyl)-1,2-benzisoxazol-4(5H)-one (20.0 g) under nitrogen. The solution was cooled to -78° C. and 87 ml lithium diisopropylamide was added dropwise. The resulting solution was stirred for ten minutes at -78° C. and 8.7 ml methyl chloroformate was added. Upon warming to room temperature, the reaction mixture was poured into water and ethyl acetate. The layers were separated and the aqueous phase was extracted three times with dichloromethane. The combined organic layers were washed with brine, dried (MgSO4), filtered and concentrated. Column chromatography on silica gel (starting with 10% dichloromethane in hexane and gradually increasing the polarity to 100% DCM) gave 13.5 g of crude product.

Workup

  1. temperatureUpon warming to room temperature
  2. customThe layers were separated
  3. extractionthe aqueous phase was extracted three times with dichloromethane
  4. washThe combined organic layers were washed with brine
  5. dry with materialdried (MgSO4)
  6. filtrationfiltered
  7. concentrationconcentrated
  8. temperaturegradually increasing the polarity to 100% DCM)

Sources & evidence

ORD record
ord-4dab5c32ef434cce855d4a74e69bc378
Source dataset
uspto-grants-1992_05
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US05114936

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes