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2-(Benzenesulfonyl)-3-phenyloxaziridine → Methyl 2-(2-(3-bromophenyl)-7-iodo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-2-hydroxyacetate

HRID 1400690
Notes
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Reaction equation

HRID 1400690 reaction equation
C[Si]([N-][Si](C)(C)C)(C)C.[K+].C1C[O:14]CC1.[Br:16][C:17]1[CH:18]=[C:19]([C:23]2[CH:38]=[C:26]3[N:27]=[C:28]([CH3:37])[C:29]([CH2:32][C:33]([O:35][CH3:36])=[O:34])=[C:30]([I:31])[N:25]3[N:24]=2)[CH:20]=[CH:21][CH:22]=1.C1(C2ON2S(C2C=CC=CC=2)(=O)=O)C=CC=CC=1>C1COCC1>[Br:16][C:17]1[CH:18]=[C:19]([C:23]2[CH:38]=[C:26]3[N:27]=[C:28]([CH3:37])[C:29]([CH:32]([OH:14])[C:33]([O:35][CH3:36])=[O:34])=[C:30]([I:31])[N:25]3[N:24]=2)[CH:20]=[CH:21][CH:22]=1
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

5

Reactant 3

HCID 3204052-(Benzenesulfonyl)-3-phenyloxaziridineHCID 86624818Khmds thfHCID 86710741Methyl 2-(2-(3-bromophenyl)-7-iodo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate

Product 1

HCID 86710743Methyl 2-(2-(3-bromophenyl)-7-iodo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-2-hydroxyacetateYield 67.6%

Reagents, catalysts & solvents 1

HCID 8028
Tetrahydrofuran
Solvent
3×

Conditions

Temperature
-78 °C

Procedure

To a stirred solution of 0.9M KHMDS/THF (2.55 mL, 2.297 mmol) in THF (8 mL) at −78° C. was added dropwise a THF (10 mL) solution of methyl 2-(2-(3-bromophenyl)-7-iodo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate (859 mg, 1.767 mmol) over 5 min. After 30 min, a THF (10 mL) solution of 3-phenyl-2-(phenylsulfonyl)-1,2-oxaziridine (600 mg, 2.297 mmol) was added to the resulting red reaction mixture and stirred for additional 30 min at −78° C. Then, the resulting orange reaction mixture was quenched with sat. NH4Cl (50 mL), diluted with EtOAc (200 mL), washed with water (100 mL), brine (100 mL), dried (Na2SO4), filtered and concentrated to give light solid. This solid was triturated with small amount of ethyl acetate and solids were filtered, washed with hexanes and dried under high vacuo to afford methyl 2-(2-(3-bromophenyl)-7-iodo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-2-hydroxyacetate (600 mg, 1.195 mmol, 67.6% yield) as light yellow solid. 1H NMR (500 MHz, CDCl3) δ: 8.21 (t, J=1.7 Hz, 1H), 7.96 (dt, J=7.8, 1.2 Hz, 1H), 7.59-7.55 (m, 1H), 7.37 (t, J=7.8 Hz, 1H), 7.09 (s, 1H), 5.78 (s, 1H), 3.87 (s, 3H), 3.54 (br. s., 1H), 2.61 (s, 3H). LCMS (M+H)=504.05.

Workup

  1. customThen, the resulting orange reaction mixture was quenched with sat. NH4Cl (50 mL)
  2. additiondiluted with EtOAc (200 mL)
  3. washwashed with water (100 mL), brine (100 mL)
  4. dry with materialdried (Na2SO4)
  5. filtrationfiltered
  6. concentrationconcentrated
  7. customto give light solid
  8. customThis solid was triturated with small amount of ethyl acetate and solids
  9. filtrationwere filtered
  10. washwashed with hexanes
  11. customdried under high vacuo

Sources & evidence

ORD record
ord-9888c75005964746bed857dadd360708
Source dataset
uspto-grants-2014_12
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08906929B2

Reaction notes

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