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Oxalyl chloride → 7-phenylsulfanyl-3,4-dihydro-2H-naphthalen-1-one

HRID 339174
Notes
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Reaction equation

HRID 339174 reaction equation
[C:1]1([S:7][C:8]2[CH:13]=[CH:12][C:11]([CH2:14][CH2:15][CH2:16][C:17]([OH:19])=O)=[CH:10][CH:9]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.C(Cl)(=O)C(Cl)=O.[Cl-].[Cl-].[Cl-].[Al+3]>O1CCCC1.CN(C=O)C>[C:1]1([S:7][C:8]2[CH:9]=[C:10]3[C:11]([CH2:14][CH2:15][CH2:16][C:17]3=[O:19])=[CH:12][CH:13]=2)[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 3

HCID 65578Oxalyl chlorideHCID 6451240Aluminum(III) ChlorideHCID 248345484-[4-(Phenylsulfanyl)phenyl]butanoic acid

Product 1

HCID 590217307-phenylsulfanyl-3,4-dihydro-2H-naphthalen-1-oneYield 55.5%

Reagents, catalysts & solvents 2

HCID 6228DimethylformamideCatalyst
HCID 8028
Tetrahydrofuran
Solvent

Procedure

4-(4-Phenylsulfanyl-phenyl)-butyric acid (5.0 g, 18.4 mmol) was dissolved in 50 mL tetrahydrofuran (THF). Oxalyl chloride (1.8 mL, 20 mmol) and one drop of DMF were added, and the reaction mixture was stirred for 1 hour, and then evaporated to dryness under reduced pressure. The resulting residue was dissolved in 40 mL of 1,2-dichloroethane, and aluminum trichloride (0.85 g, 25 mmol) was added all at once. The reaction mixture was stirred for 1 hour, and quenched by addition of 2% HCl. This aqueous mixture was extracted twice with 100 mL of EtOAc, and the combined organic layers were dried (MgSO4) and evaporated to yield 2.54 g (10 mmol, 55.5%) of 7-phenylsulfanyl-3,4-dihydro-2H-naphthalen-1-one as a gummy residue. MS: 255 (M+H)+.

Workup

  1. customevaporated to dryness under reduced pressure
  2. dissolutionThe resulting residue was dissolved in 40 mL of 1,2-dichloroethane
  3. stirringThe reaction mixture was stirred for 1 hour
  4. customquenched by addition of 2% HCl
  5. extractionThis aqueous mixture was extracted twice with 100 mL of EtOAc
  6. dry with materialthe combined organic layers were dried (MgSO4)
  7. customevaporated

Sources & evidence

ORD record
ord-926b3d08cfde4846bc0c4edfc122b175
Source dataset
uspto-grants-2014_11
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08889906B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes