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Penicillamine → HCID 21304723, compound

HRID 2084881
Notes
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Reaction equation

HRID 2084881 reaction equation
[NH2:1][C@@H:2]([C:7]([OH:9])=[O:8])[C:3]([SH:6])([CH3:5])[CH3:4].[OH-].[Na+].Br[CH2:13][CH2:14][OH:15].C(=O)([O-])[O-].[Na+].[Na+].[C:22]([O:26][C:27]1[CH:32]=[CH:31][C:30]([S:33](Cl)(=[O:35])=[O:34])=[CH:29][CH:28]=1)#[C:23][CH2:24][CH3:25]>CO.CN(C=O)C>[CH2:22]([O:26][C:27]1[CH:32]=[CH:31][C:30]([S:33]([NH:1][C@H:2]([C:7]([OH:9])=[O:8])[C:3]([S:6][CH2:13][CH2:14][OH:15])([CH3:5])[CH3:4])(=[O:35])=[O:34])=[CH:29][CH:28]=1)[C:23]#[C:24][CH3:25]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

8

Reactant 5

HCID 5852PenicillamineHCID 10340Sodium CarbonateHCID 108982-BromoethanolHCID 14798Sodium HydroxideHCID 22644685HCID 22644685, compound

Product 1

HCID 21304723HCID 21304723, compoundYield 94%

Reagents, catalysts & solvents

2
HCID 887MethanolSolventHCID 6228DimethylformamideSolvent

Conditions

Temperature
0 °C

Procedure

A solution of D-penicillamine (0.5 g, 3.35 mmol) in methanol (5 mL) was cooled to 0° C. and crushed sodium hydroxide (0.28 g, 6.87 mmol) was added to give a clear solution. 2-Bromoethanol (0.26 mL, 3.71 mmol) was added and stirred at 0° C. for 1 h and at room temperature for an additional 1.5 h. The reaction was concentrated, and the oily residue was dissolved in 3 mL water and 6 mL DMF and stirred with sodium carbonate (0.82 g 7.2 mmol) and 4-butynyloxy-benzenesufonyl chloride (0.78 g, 3.18 mmol) at room temperature overnight. The reaction was concentrated and the residue was extracted with ethyl acetate and water. The aqueous layer was acidified to pH˜3 with concentrated HCl and extracted with ethyl acetate. The second ethyl acetate extract was washed with water and brine, dried over sodium sulfate, filtered and concentrated to obtain 1.2 g of N-{[4-(2 butynyloxy)phenyl]sulfonyl}-3-[(2-hydroxyethyl)sulfanyl]valine as an oil. Yield 89.6%. Electrospray Mass Spec 400.1 (M−H)−.

Workup

  1. additionwas added
  2. customto give a clear solution
  3. concentrationThe reaction was concentrated
  4. dissolutionthe oily residue was dissolved in 3 mL water
  5. concentrationThe reaction was concentrated
  6. extractionthe residue was extracted with ethyl acetate and water
  7. extractionextracted with ethyl acetate
  8. extractionThe second ethyl acetate extract
  9. washwas washed with water and brine
  10. dry with materialdried over sodium sulfate
  11. filtrationfiltered
  12. concentrationconcentrated

Sources & evidence

ORD record
ord-0db6d6eddf484ee792e64e2b9e317ee2
Source dataset
uspto-grants-2004_04
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US06716833B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes