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Hydrochloric Acid → Dibenzo(b,d)furan-2-ylboronic Acid (contains varying amounts of Anhydride)

HRID 1618946
Notes
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Reaction equation

HRID 1618946 reaction equation
Br[C:2]1[CH:3]=[CH:4][C:5]2[C:9]3[CH:10]=[CH:11][CH:12]=[CH:13][C:8]=3[O:7][C:6]=2[CH:14]=1.C([Li])CCC.[B:20](OC)([O:23]C)[O:21]C.Cl>CCCCCC.C1COCC1>[CH:4]1[C:5]2[C:9]3[CH:10]=[CH:11][CH:12]=[CH:13][C:8]=3[O:7][C:6]=2[CH:14]=[CH:2][C:3]=1[B:20]([OH:23])[OH:21]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 4

HCID 313Hydrochloric AcidHCID 8470Trimethyl borateHCID 2968613-BromodibenzofuranHCID 178418339Butyllithium

Product 1

HCID 12032376Dibenzo(b,d)furan-2-ylboronic Acid (contains varying amounts of Anhydride)Yield 27%

Reagents, catalysts & solvents 2

HCID 8028
Tetrahydrofuran
Solvent
HCID 8058HexaneSolvent

Conditions

Temperature
-80 °C

Procedure

In a 300 mL three-neck flask was put 3.6 g (14 mmol) of 3-bromodibenzofuran. The air in the flask was replaced with nitrogen. To this mixture was added 70 mL of THF, and this solution was cooled to −80° C. Then, 10 mL (16 mmol) of n-butyllithium (a 1.6 mol/L hexane solution) was dripped into this solution with a syringe. After that, this solution was stirred at the same temperature for 2 hours. Then, 3.4 mL (30 mmol) of trimethyl borate was added to this solution, and the mixture was stirred for 4 days while its temperature was returned to room temperature. After that, about 30 mL of diluted hydrochloric acid (1.0 mol/L) was added to this solution, followed by stirring for 1 hour. Then, the aqueous layer of this mixture was extracted with ethyl acetate, and the ethyl acetate solution and the organic layer were combined and washed with saturated brine. The organic layer was dried with magnesium sulfate. Then, this mixture was gravity filtered. The resulting filtrate was concentrated to give a solid. The solid was washed with hexane, whereby 0.70 g of a white powder was obtained in 27% yield, which was the substance to be produced.

Workup

  1. customIn a 300 mL three-neck flask was put
  2. stirringthe mixture was stirred for 4 days while its temperature
  3. customwas returned to room temperature
  4. stirringby stirring for 1 hour
  5. extractionThen, the aqueous layer of this mixture was extracted with ethyl acetate
  6. washwashed with saturated brine
  7. dry with materialThe organic layer was dried with magnesium sulfate
  8. filtrationfiltered
  9. concentrationThe resulting filtrate was concentrated
  10. customto give a solid
  11. washThe solid was washed with hexane

Sources & evidence

ORD record
ord-9cbad923987948a28a6617b0f9bb3e86
Source dataset
uspto-grants-2014_07
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08771840B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes