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Triethylamine → HCID 178495011, compound

HRID 1037497
Notes
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Reaction equation

HRID 1037497 reaction equation
[C:1]([O:5][C:6]([NH:8][C@H:9]([C:13]([O:16][CH3:17])([CH3:15])[CH3:14])[C:10]([OH:12])=O)=[O:7])([CH3:4])([CH3:3])[CH3:2].CCN(CC)CC.ClC(OCC)=O.[F:31][C:32]1[CH:41]=[CH:40][C:39]([F:42])=[CH:38][C:33]=1[C:34](=[NH:37])[NH:35][NH2:36]>C1COCC1>[F:31][C:32]1[CH:41]=[CH:40][C:39]([F:42])=[CH:38][C:33]=1[C:34](=[NH:37])[NH:35][NH:36][C:10](=[O:12])[C@H:9]([NH:8][C:6](=[O:7])[O:5][C:1]([CH3:2])([CH3:3])[CH3:4])[C:13]([O:16][CH3:17])([CH3:15])[CH3:14]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 4

HCID 8471TriethylamineHCID 10928Ethyl chloroformateHCID 58473067(R)-2-((tert-butoxycarbonyl)amino)-3-methoxy-3-methylbutanoic acidHCID 178512582HCID 178512582, compound

Product 1

HCID 178495011HCID 178495011, compoundYield 15.4%

Reagents, catalysts & solvents 1

HCID 8028
Tetrahydrofuran
Solvent
2×

Conditions

Temperature
-5 °C

Procedure

The crude (R)-2-((tert-butoxycarbonyl)amino)-3-methoxy-3-methylbutanoic acid (4 g, 16.2 mmol) was converted to a mixed anhydride by adding Et3N (3.38 ml, 24.26 mmol), ethyl chloroformate (1.931 g, 17.79 mmol) in anhydrous THF (32.4 ml, 0.5 M) at −5° C. to 0° C. The mixture was stirred at −5° C. for 30 min. The resulting solid was filtered off and additional anhydrous THF was added to wash the precipitate. The resulting reaction solution was then added to a THF solution of 2,5-difluorobenzimido-hydrazide (2.77 g, 16.18 mmol) at −5° C. Then the reaction was gradually warmed to room temperature and stirred for overnight. Once the reaction was complete, the mixture was partitioned between EtOAc and H2O. The organic layer was separated and washed with H2O, brine, then dried over anhydrous Na2SO4, filtered, and evaporated under reduced pressure to give the crude product, which was purified on silica gel column (50% EtOAc in Hexanes) to afford (R)-tert-butyl (1-(2-((2,5-difluorophenyl)(imino)methyl)hydrazinyl)-3-methoxy-3-methyl-1-oxobutan-2-yl)carbamate (1 g, 15%). LC/MS (uplc): MH+ 401.2, 0.61 min.

Workup

  1. filtrationThe resulting solid was filtered off
  2. additionadditional anhydrous THF was added
  3. washto wash the precipitate
  4. customThe resulting reaction solution
  5. temperatureThen the reaction was gradually warmed to room temperature
  6. stirringstirred for overnight
  7. customthe mixture was partitioned between EtOAc and H2O
  8. customThe organic layer was separated
  9. washwashed with H2O, brine
  10. dry with materialdried over anhydrous Na2SO4
  11. filtrationfiltered
  12. customevaporated under reduced pressure
  13. customto give the crude product, which
  14. customwas purified on silica gel column (50% EtOAc in Hexanes)

Sources & evidence

ORD record
ord-e61c5a3c3f274808b880e4f0bd3a264a
Source dataset
uspto-grants-2013_10
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08546434B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes