Potassium Phosphate, Tribasic → N-(1-Adamantylmethyl)-2-(3-{[tert-butyl(dimethyl)silyl]oxy}propyl)-5-chloroisonicotinamide

HRID 1247604Notes

Reaction equation

HRID 1247604 reaction equation
C12BC(CCC1)CCC2.[CH2:10]([O:13][Si:14]([C:17]([CH3:20])([CH3:19])[CH3:18])([CH3:16])[CH3:15])[CH:11]=[CH2:12].P([O-])([O-])([O-])=O.[K+].[K+].[K+].[C:29]12([CH2:39][NH:40][C:41](=[O:50])[C:42]3[C:47]([Cl:48])=[CH:46][N:45]=[C:44](Cl)[CH:43]=3)[CH2:38][CH:33]3[CH2:34][CH:35]([CH2:37][CH:31]([CH2:32]3)[CH2:30]1)[CH2:36]2>O.CN(C)C=O>[C:29]12([CH2:39][NH:40][C:41](=[O:50])[C:42]3[C:47]([Cl:48])=[CH:46][N:45]=[C:44]([CH2:12][CH2:11][CH2:10][O:13][Si:14]([C:17]([CH3:20])([CH3:19])[CH3:18])([CH3:15])[CH3:16])[CH:43]=3)[CH2:30][CH:31]3[CH2:32][CH:33]([CH2:34][CH:35]([CH2:37]3)[CH2:36]1)[CH2:38]2

Participants

7

Conditions

Temperature
60 °C

Procedure

A solution of 9-borabicyclo[3.3.1]nonane at 0.5 M in tetrthydrofuran (2.78 mL, 1.39 mmol) was added to neat (allyloxy)(tert-butyl)dimethylsilane (0.15 mL, 0.69 mmole). The mixture was heated to 60° C. for 2 hours under nitrogen. The reaction was subsequently cooled to room temperature and a solution of potassium phosphate (0.37 g) in water (1 mL) was added slowly. A solution of N-(1-adamantylmethyl)-2,5-dichloroisonicotinamide (0.20 g, 0.59 mmol; prepared as described in WO 01/94338) in dimethylformamide (3 mL) was added followed by tetrakis(triphenyphosphine)palladium (0) (7 mg). The solution was heated to 70° C. for 2 hours; allowed to cool to room temperature then partitioned between ethyl acetate (20 mL) and brine (10 mL). The aqueous phase was further extracted with ethyl acetate (2×20 mL) and the combined organics were washed with brine (20 mL); dried over magnesium sulphate; filtered and evaporated under vacuum to give the crude product (0.70 g) as a yellow oil, which was used, as such, without any further purification.

Workup

  1. temperatureThe reaction was subsequently cooled to room temperature
  2. temperatureThe solution was heated to 70° C. for 2 hours
  3. temperatureto cool to room temperature
  4. customthen partitioned between ethyl acetate (20 mL) and brine (10 mL)
  5. extractionThe aqueous phase was further extracted with ethyl acetate (2×20 mL)
  6. washthe combined organics were washed with brine (20 mL)
  7. dry with materialdried over magnesium sulphate
  8. filtrationfiltered
  9. customevaporated under vacuum

Sources & evidence

ORD record
ord-975582d4f3c44a42a09ac5f07129be4c
Source dataset
uspto-grants-2006_10
Patent number
US07129246B2

Reaction notes

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