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Methanol → (S)-N-((R)-4-(3,4-dichlorophenyl)butan-2-yl)-2-methylpropane-2-sulfinamide

HRID 1053673
Notes
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Reaction equation

HRID 1053673 reaction equation
[CH3:1][C:2]([S@@:5]([NH2:7])=[O:6])([CH3:4])[CH3:3].[Cl:8][C:9]1[CH:10]=[C:11]([CH2:16][CH2:17][C:18](=O)[CH3:19])[CH:12]=[CH:13][C:14]=1[Cl:15].CCC(C)[BH-](C(C)CC)C(C)CC.[Li+].CO>C1COCC1.C(=O)=O.C(O[Ti](OCC)(OCC)OCC)C>[Cl:8][C:9]1[CH:10]=[C:11]([CH2:16][CH2:17][C@H:18]([NH:7][S@:5]([C:2]([CH3:4])([CH3:3])[CH3:1])=[O:6])[CH3:19])[CH:12]=[CH:13][C:14]=1[Cl:15]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

8

Reactant 4

HCID 887MethanolHCID 3611392Lithium tri-s-butylborohydrideHCID 11355477tert-Butylsulfinamide, (S)-(-)-2×HCID 242613834-(3,4-Dichlorophenyl)butan-2-one

Product 1

HCID 86731088(S)-N-((R)-4-(3,4-dichlorophenyl)butan-2-yl)-2-methylpropane-2-sulfinamideYield 62.3%

Reagents, catalysts & solvents 3

HCID 178477244HCID 178477244, compoundCatalystHCID 280Carbon DioxideSolventHCID 8028TetrahydrofuranSolvent2×

Conditions

Temperature
75 °C

Procedure

To a stirred solution of (S)-2-methylpropane-2-sulfinamide (373 mg, 3.08 mmol) and Intermediate 4A (700 mg, 3.22 mmol) in THF (2 mL) at rt was added tetraethoxytitanium (1.22 mL, 5.86 mmol). The reaction mixture was heated at 75° C. for 16 h, and allowed to cool and stay at rt for 72 h. Another equivalent of Ti(OEt)4 (1.22 mL, 5.86 mmol) and (S)-2-methylpropane-2-sulfinamide (373 mg, 3.08 mmol) were added. The reaction mixture was heated at 75° C. for 16 h before cooled down. This THF solution was stirred in a round-bottomed flask under argon at −40 to −50° C. L-Selectride (2016 μL, 2.016 mmol) was added dropwise. The resulting mixture was then warmed up to 0° C. during a 1.5 h period. It was cooled in dry ice and MeOH was added dropwise until gas evolution stopped. The mixture was stirred at rt for 20 min. It was filtered through Celite and rinsed with CH2Cl2 and the filtrate was washed with brine (2×) and dried over Na2SO4, filtered and concentrated. The residue was purified on flash chromatography (0-100% hexanes/EtOAc) to give Intermediate 4B (620 mg, 1.92 mmol, 59.6% yield) as slightly tan oil (slow eluent) and an impure (S)—N—((S)-4-(3,4-dichlorophenyl)butan-2-yl)-2-methylpropane-2-sulfinamide. LC-MS (ESI) m/z 322.0 (M+H), RT=2.34 min (Method B).

Workup

  1. temperatureto cool
  2. temperatureThe reaction mixture was heated at 75° C. for 16 h
  3. temperaturebefore cooled down
  4. temperatureThe resulting mixture was then warmed up to 0° C. during a 1.5 h period
  5. filtrationIt was filtered through Celite
  6. washrinsed with CH2Cl2
  7. washthe filtrate was washed with brine (2×)
  8. dry with materialdried over Na2SO4
  9. filtrationfiltered
  10. concentrationconcentrated
  11. customThe residue was purified on flash chromatography (0-100% hexanes/EtOAc)

Sources & evidence

ORD record
ord-217f816cc8bf4397aac746204a48c4ab
Source dataset
uspto-grants-2016_07
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US09394260B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes