Hydrogen Peroxide → Methyl 5-carbamoyl-4-cyclobutyl-2-methylbenzoate

HRID 541322Notes

Reaction equation

HRID 541322 reaction equation
[C:1]([C:3]1[C:4]([CH:14]2[CH2:17][CH2:16][CH2:15]2)=[CH:5][C:6]([CH3:13])=[C:7]([CH:12]=1)[C:8]([O:10][CH3:11])=[O:9])#[N:2].C(=O)([O-])[O-:19].[K+].[K+].OO.OP(O)(O)=O>[Cl-].[Na+].O.CS(C)=O>[C:1]([C:3]1[C:4]([CH:14]2[CH2:15][CH2:16][CH2:17]2)=[CH:5][C:6]([CH3:13])=[C:7]([CH:12]=1)[C:8]([O:10][CH3:11])=[O:9])(=[O:19])[NH2:2]

Participants

7

Procedure

To an 8-mL vial was added methyl 5-cyano-4-cyclobutyl-2-methylbenzoate (152.4, 100 mg, 0.436 mmol, 1.0 equiv), potassium carbonate (181 mg, 1.31 mmol, 3.0 equiv) and DMSO (2.2 mL) and stirring was initiated. Hydrogen peroxide (50 wt %) (176 μL, 3.05 mmol, 7.0 equiv) was added over about 1 minute. The mixture was stirred at room temperature for 29 hours then diluted into brine (10 mL) plus 1 M H3PO4 (1.5 mL). The mixture was extracted with ethyl acetate (10 mL×1, 3 mL×1). The combined organic layers were washed with brine (10 mL) plus a few drops of 1 M H3PO4 followed by a mixture of water (10 mL) plus saturated NaHCO3 (1 mL) and finally brine (5 mL). The organics was dried (Na2SO4), filtered and evaporated to obtain the title compound as a white solid (59 mg, 55%). m/z (ES+) 248.0 (M+H)+.

Workup

  1. stirringThe mixture was stirred at room temperature for 29 hours
  2. extractionThe mixture was extracted with ethyl acetate (10 mL×1, 3 mL×1)
  3. washThe combined organic layers were washed with brine (10 mL) plus a few drops of 1 M H3PO4
  4. additionfollowed by a mixture of water (10 mL) plus saturated NaHCO3 (1 mL) and finally brine (5 mL)
  5. dry with materialThe organics was dried (Na2SO4)
  6. filtrationfiltered
  7. customevaporated

Sources & evidence

ORD record
ord-a209a3c19c424f0584a4d5a83e17febb
Source dataset
uspto-grants-2014_10
Patent number
US08871790B2

Reaction notes

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