Methyl 4-methylbenzoate → Methyl 4-(morpholin-4-ylmethyl)benzoate

HRID 502508Notes

Reaction equation

HRID 502508 reaction equation
[NH:1]1[CH2:6][CH2:5][O:4][CH2:3][CH2:2]1.C(N(CC)CC)C.Br[CH2:15][C:16]1[CH:25]=[CH:24][C:19]([C:20]([O:22][CH3:23])=[O:21])=[CH:18][CH:17]=1.C1(C)C=CC(C(OC)=O)=CC=1>CCO>[O:4]1[CH2:5][CH2:6][N:1]([CH2:15][C:16]2[CH:25]=[CH:24][C:19]([C:20]([O:22][CH3:23])=[O:21])=[CH:18][CH:17]=2)[CH2:2][CH2:3]1

Participants

6

Conditions

Temperature
0 °C

Procedure

To a solution of 66.6 g of morpholine and 269 mL of triethylamine in 1.5 L of abs. EtOH under N2 at 0° C. was added dropwise over 30 min a solution of methyl 4-bromomethylbenzoate (from the previous reaction) in 450 mL of abs. EtOH. The resulting solution was stirred at 0° C. for 2 hours at which point the reaction was slowly warmed up to r.t over 4 hours and stirred at r.t overnight. The HPLC showed no unreacted methyl 4-bromomethylbenzoate but the remaining methyl p-toluate from the previous reaction. The solvent was removed under reduced pressure and the residue was taken up in 2 L of 1.5 N HCl. The acidic phase was washed with 3×350 mL diethyl ether and then with 1×350 mL EtOAc then neutralized to pH 7 with NaOH and then to pH 7.5 with 10% NaHCO3 in water. The product was then extracted with 3×700 mL of EtOAc. The organic phase was dried over anhydrous Na2SO4, filtered, and concentrated under reduce pressure, affording an orange oil. The excess EtOAc was removed by toluene distillation. The title compound was used in the next step without ether purification.

Workup

  1. customfrom the previous reaction) in 450 mL of abs
  2. temperaturewas slowly warmed up
  3. waitto r.t over 4 hours
  4. stirringstirred at r.t overnight
  5. customThe solvent was removed under reduced pressure
  6. washThe acidic phase was washed with 3×350 mL diethyl ether
  7. extractionThe product was then extracted with 3×700 mL of EtOAc
  8. dry with materialThe organic phase was dried over anhydrous Na2SO4
  9. filtrationfiltered
  10. concentrationconcentrated
  11. customaffording an orange oil
  12. customThe excess EtOAc was removed by toluene distillation
  13. customThe title compound was used in the next step without ether purification

Sources & evidence

ORD record
ord-ae9be6a309924358a8741ef4bc3bd502
Source dataset
uspto-grants-2010_08
Patent number
US07776854B2

Reaction notes

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