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Methanesulfonic Acid → (2S)-3,3,3-Trifluoro-2-methylpropane-1,2-diamine

HRID 633708
Notes
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Reaction equation

HRID 633708 reaction equation
[NH2:1][CH2:2][C@@:3]([NH:9][C@H](C1C=CC=CC=1)CO)([CH3:8])[C:4]([F:7])([F:6])[F:5].CS(O)(=O)=O>CO.Cl.[OH-].[OH-].[Pd+2]>[F:5][C:4]([F:7])([F:6])[C@@:3]([CH3:8])([NH2:9])[CH2:2][NH2:1]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 2

HCID 6395Methanesulfonic AcidHCID 16083878(2R)-2-((S)-1-aminomethyl-2,2,2-trifluoro-1-methyl-ethylamino)-2-phenyl-ethanol

Product 1

HCID 16083880(2S)-3,3,3-Trifluoro-2-methylpropane-1,2-diamineYield 45.2%

Reagents, catalysts & solvents 3

HCID 9942167Palladium hydroxideCatalystHCID 313Hydrochloric Acid
Solvent
HCID 887MethanolSolvent

Procedure

A mixture of 10.50 g (70 mmol) of (R)-2-((S)-1-aminomethyl-2,2,2-trifluoro-1-methylethylamino)-2-phenylethanol in methanol, 4.5 mL (68 mmol) of methanesulfonic acid and 1.50 g of Pd(OH)2/C (20% w/w) is hydrogenated at 25° C. in an autoclave, under a hydrogen pressure of 5 bar, for 24 hours. The mixture obtained is then filtered and the filtrate is evaporated to dryness. The oil obtained is taken up in 3 M hydrochloric acid solution (42 mL). The mixture obtained is extracted with ethyl ether. Ethyl ether and 15 mL of 35% sodium hydroxide are then added to the aqueous phase, to pH 12. The aqueous phase is then separated out by settling and extracted with 3 times 200 mL of ethyl ether. The organic phases are combined, dried over magnesium sulfate, filtered and then concentrated under vacuum to give 4.50 g of (S)-3,3,3-trifluoro-2-methylpropane-1,2-diamine in the form of a pale yellow oil, the characteristics of which are as follows:

Workup

  1. customis hydrogenated at 25° C. in an autoclave, under a hydrogen
  2. customThe mixture obtained
  3. filtrationis then filtered
  4. customthe filtrate is evaporated to dryness
  5. customThe oil obtained
  6. customThe mixture obtained
  7. extractionis extracted with ethyl ether
  8. additionEthyl ether and 15 mL of 35% sodium hydroxide are then added to the aqueous phase, to pH 12
  9. customThe aqueous phase is then separated out
  10. extractionextracted with 3 times 200 mL of ethyl ether
  11. dry with materialdried over magnesium sulfate
  12. filtrationfiltered
  13. concentrationconcentrated under vacuum

Sources & evidence

ORD record
ord-69df3f68c9354aeea8534feb59977f3c
Source dataset
uspto-grants-2016_04
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US09321790B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes