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Triethylborane → Methyl 3-(3-ethyl-4-hydroxyphenyl)propanoate

HRID 2177144
Notes
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Reaction equation

HRID 2177144 reaction equation
Br[C:2]1[CH:3]=[C:4]([CH2:9][CH2:10][C:11]([O:13][CH3:14])=[O:12])[CH:5]=[CH:6][C:7]=1[OH:8].C([O-])([O-])=O.[Cs+].[Cs+].[CH2:21](B(CC)CC)[CH3:22]>C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.Cl[Pd]Cl.[Fe+2].O1CCCC1>[CH2:21]([C:2]1[CH:3]=[C:4]([CH2:9][CH2:10][C:11]([O:13][CH3:14])=[O:12])[CH:5]=[CH:6][C:7]=1[OH:8])[CH3:22]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 3

HCID 7357TriethylboraneHCID 10796Cesium carbonateHCID 22558720Methyl 3-(3-bromo-4-hydroxyphenyl)propanoate

Product 1

HCID 90418287Methyl 3-(3-ethyl-4-hydroxyphenyl)propanoate

Reagents, catalysts & solvents 2

HCID 44119782Bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);dichloropalladium;iron(2+)
Catalyst
HCID 8028TetrahydrofuranSolvent

Conditions

Temperature
65 °C

Procedure

Into a 50-mL round-bottom flask purged and maintained with an inert atmosphere of nitrogen, was placed methyl 3-(3-bromo-4-hydroxyphenyl)propanoate (220 mg, 0.85 mmol, 1.00 equiv), Pd(dppf)Cl2 (25.76 mg, 0.04 mmol, 0.04 equiv), Cs2CO3 (616.4 mg), tetrahydrofuran (5 mL), triethylborane (1.26 mL). The resulting solution was stirred overnight at 65° C. in an oil bath. The reaction was then quenched by the addition of 5 mL of water. The resulting mixture was concentrated under vacuum. The resulting solution was diluted with 20 mL of EA. The resulting mixture was washed with 3×10 mL of H2O. The mixture was dried over anhydrous sodium sulfate. The residue was applied onto a silica gel column with ethylacetate/petroleum ether (10:90). This resulted in 300 mg (170%) of methyl 3-(3-ethyl-4-hydroxyphenyl)propanoate as colorless oil.

Workup

  1. customInto a 50-mL round-bottom flask purged
  2. temperaturemaintained with an inert atmosphere of nitrogen
  3. customThe reaction was then quenched by the addition of 5 mL of water
  4. concentrationThe resulting mixture was concentrated under vacuum
  5. additionThe resulting solution was diluted with 20 mL of EA
  6. washThe resulting mixture was washed with 3×10 mL of H2O
  7. dry with materialThe mixture was dried over anhydrous sodium sulfate
  8. customThis resulted in 300 mg (170%) of methyl 3-(3-ethyl-4-hydroxyphenyl)propanoate as colorless oil

Sources & evidence

ORD record
ord-a5ce451417444c5caeb8f3921e094aef
Source dataset
uspto-grants-2015_06
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US09067898B1

Reaction notes

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