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4-(3-Phenylpropyl)pyridine N-oxide → HCID 89444796, compound

HRID 574635
Notes
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Reaction equation

HRID 574635 reaction equation
[Br:1][C:2]1[CH:3]=[C:4]([F:11])[CH:5]=[C:6]2[C:10]=1[CH2:9][CH:8]=[CH:7]2.C1(CCCC2C=C[N+]([O-:27])=CC=2)C=CC=CC=1.Cl[O-].[Na+]>C(Cl)Cl.CC(C1C=C(C=N[C@@H]2[C@@H](N=CC3C([O-])=C(C(C)(C)C)C=C(C(C)(C)C)C=3)CCCC2)C([O-])=C(C(C)(C)C)C=1)(C)C.[Cl-].[Mn+3]>[Br:1][C:2]1[C:10]2[CH2:9][C@H:8]3[O:27][C@H:7]3[C:6]=2[CH:5]=[C:4]([F:11])[CH:3]=1
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 3

HCID 6883204-(3-Phenylpropyl)pyridine N-oxideHCID 23665760Sodium HypochloriteHCID 684621937-bromo-5-fluoro-1H-indene

Product 1

HCID 89444796HCID 89444796, compoundYield 164.4%

Reagents, catalysts & solvents 2

HCID 10211480
(S,S)-[N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine]manganese(III) chloride
Catalyst
HCID 6344DichloromethaneSolvent

Conditions

Temperature
0 °C

Procedure

To a solution of 9 g (42.3 mmol) of 7-Bromo-5-fluoro-1H-indene (5a) in CH2Cl2 at 0° C. was added (S,S)-(+)-N,N′-bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminomanganese(III)-chloride (Jacobsen catalyst; 1.2 g, 1.7 mmol) and 4-(3-phenylpropyl)pyridine N-oxide (1.8 g, 8.5 mmol). After stirring for 15 min at 0° C., the 0° C. cold buffered sodium hypochlorite solution was added and the mixture was stirred at 0° C. for 3 h. The resulting liquid layers were separated and the aqueous layer was extracted 3 times with CH2Cl2. The combined organic layers were washed with brine and dried over MgSO4. Solvents were evaporated and the crude product was purified by silica gel chromatography (eluting with 5 to 50% ethyl acetate in heptane). The product was recrystallized from heptane to give 3.2 g of (1aS,6aR)-5-Bromo-3-fluoro-6,6a-dihydro-1aH-1-oxa-cyclopropa[a]indene (6a) as white needles.

Workup

  1. customthe 0° C.
  2. additionwas added
  3. stirringthe mixture was stirred at 0° C. for 3 h
  4. customThe resulting liquid layers were separated
  5. extractionthe aqueous layer was extracted 3 times with CH2Cl2
  6. washThe combined organic layers were washed with brine
  7. dry with materialdried over MgSO4
  8. customSolvents were evaporated
  9. customthe crude product was purified by silica gel chromatography (eluting with 5 to 50% ethyl acetate in heptane)
  10. customThe product was recrystallized from heptane

Sources & evidence

ORD record
ord-f3b7fd6368fe41eba9c2fa959fc4b7e5
Source dataset
uspto-grants-2015_05
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US09034897B2

Reaction notes

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