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Hydrochloric Acid → HCID 86727239, compound

HRID 2173027
Notes
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Reaction equation

HRID 2173027 reaction equation
[F:1][C:2]1[C:10]2[CH:9]=[CH:8][S:7][C:6]=2[CH:5]=[CH:4][CH:3]=1.C([Li])CCC.[B:16](OC(C)C)([O:21]C(C)C)[O:17]C(C)C.Cl>C1COCC1.C(Cl)Cl>[F:1][C:2]1[C:10]2[CH:9]=[C:8]([B:16]([OH:21])[OH:17])[S:7][C:6]=2[CH:5]=[CH:4][CH:3]=1
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 4

HCID 313Hydrochloric AcidHCID 21531Triisopropyl borateHCID 190880174-Fluorobenzo[b]thiopheneHCID 178418339Butyllithium

Product 1

HCID 86727239HCID 86727239, compound

Reagents, catalysts & solvents 2

HCID 6344DichloromethaneSolvent
HCID 8028
Tetrahydrofuran
Solvent

Conditions

Temperature
-78 °C

Procedure

To a cold (−78° C.) solution of 4-fluorobenzo[b]thiophene (80.4 mg, 0.528 mmol) in anhydrous THF (1 mL) was added n-butyllithium (0.363 mL, 0.581 mmol) dropwise. The reaction mixture was stirred at −78° C. for 60 minutes. A solution of triisopropyl borate (0.146 mL, 0.634 mmol) was added. The reaction mixture was stirred at −78° C. for 30 minutes and was then allowed to warm to room temperature over a 2 hour period. TLC showed completion of reaction. 1N HCl (100 mL) and DCM (50 mL) were added to the reaction mixture. The aqueous and organic layers were separated. The aqueous layer was concentrated to 50 mL, yielding a solid precipitate that was filtered and dried to give the title compound as off-white, needle-shaped crystals. The product was used without further purification.

Workup

  1. stirringThe reaction mixture was stirred at −78° C. for 30 minutes
  2. temperatureto warm to room temperature over a 2 hour period
  3. customcompletion of reaction
  4. customThe aqueous and organic layers were separated
  5. concentrationThe aqueous layer was concentrated to 50 mL
  6. customyielding a solid precipitate that
  7. filtrationwas filtered
  8. customdried

Sources & evidence

ORD record
ord-164e0292e44948e3be73df1b8946ecb2
Source dataset
uspto-grants-2015_06
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US09056873B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes