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Triphenylphosphine Oxide → N-[5-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethyl-1,4-dihydropyrrolo[3,2-b]pyrrol-3-yl]-N-methylthiophene-2-sulfonamide

HRID 453598
Notes
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Reaction equation

HRID 453598 reaction equation
[CH2:1]([N:3]1[C:10]2[CH:9]=[C:8]([C:11](O)=O)[NH:7][C:6]=2[C:5]([N:14]([CH3:23])[S:15]([C:18]2[S:19][CH:20]=[CH:21][CH:22]=2)(=[O:17])=[O:16])=[CH:4]1)[CH3:2].Cl.C([S:44][CH2:45][CH2:46][NH2:47])(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.N1(O)C2C=CC=CC=2N=N1.Cl.CN(C)CCCN=C=NCC.C1(P(=O)(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.FC(F)(F)S(OS(C(F)(F)F)(=O)=O)(=O)=O>ClCCl.O.CN(C)C=O.C(N(CC)CC)C>[S:44]1[CH2:45][CH2:46][N:47]=[C:11]1[C:8]1[NH:7][C:6]2[C:5]([N:14]([CH3:23])[S:15]([C:18]3[S:19][CH:20]=[CH:21][CH:22]=3)(=[O:17])=[O:16])=[CH:4][N:3]([CH2:1][CH3:2])[C:10]=2[CH:9]=1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

11

Reactant 6

HCID 13097Triphenylphosphine OxideHCID 67749Trifluoromethanesulfonic anhydrideHCID 757711-HydroxybenzotriazoleHCID 27239391,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochlorideHCID 184272672-(Tritylthio)ethylamine hydrochloride
HCID 59411387
4-Ethyl-6-[methyl(2-thienylsulfonyl)amino]-1,4-dihydropyrrolo[3,2-b]pyrrole-2-carboxylic acid

Product 1

HCID 24880661N-[5-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethyl-1,4-dihydropyrrolo[3,2-b]pyrrol-3-yl]-N-methylthiophene-2-sulfonamideYield 30%

Reagents, catalysts & solvents 4

HCID 962WaterSolventHCID 6228DimethylformamideSolventHCID 6344DichloromethaneSolventHCID 8471TriethylamineSolvent

Procedure

To a mixture of 4-ethyl-6-[methyl(2-thienylsulfonyl)amino]-1,4-dihydropyrrolo[3,2-b]pyrrole-2-carboxylic acid (780 mg), 2-(tritylthio)ethaneamine hydrochloride (850 mg), 1H-1,2,3-benzotriazol-1-ol (370 mg), triethylamine (0.5 mL) and N,N-dimethylformamide (15 mL) was added N-[3-(dimethylamino)propyl]-N′-ethylcarbodiimide hydrochloride (460 mg), and the mixture was stirred at room temperature overnight. Water was added to the reaction mixture, and the mixture was extracted with ethyl acetate. The ethyl acetate layer was washed with saturated brine, dried (MgSO4) and concentrated to give a colorless oil. To a solution of triphenylphosphine oxide (1.8 g) in dichloromethane (20 mL) was slowly added trifluoromethanesulfonic anhydride (555 μL) at 0° C., the mixture was stirred for 10 min, and the colorless oil was added. The reaction mixture was stirred at room temperature for 2 hr and concentrated. Saturated aqueous sodium hydrogen carbonate was added thereto, and the mixture was extracted with ethyl acetate. The ethyl acetate layer was washed with saturated brine, dried (MgSO4) and concentrated. The residue was subjected to silica gel column chromatography to give N-[5-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethyl-1,4-dihydropyrrolo[3,2-b]pyrrol-3-yl]-N-methylthiophene-2-sulfonamide (260 mg, yield 30%) as colorless crystals from a fraction eluted with ethyl acetate-hexane (1:20 to 1:3, volume ratio). melting point 163° C.

Workup

  1. extractionthe mixture was extracted with ethyl acetate
  2. washThe ethyl acetate layer was washed with saturated brine
  3. dry with materialdried (MgSO4)
  4. concentrationconcentrated
  5. customto give a colorless oil
  6. customat 0° C.
  7. stirringthe mixture was stirred for 10 min
  8. additionthe colorless oil was added
  9. stirringThe reaction mixture was stirred at room temperature for 2 hr
  10. concentrationconcentrated
  11. additionSaturated aqueous sodium hydrogen carbonate was added
  12. extractionthe mixture was extracted with ethyl acetate
  13. washThe ethyl acetate layer was washed with saturated brine
  14. dry with materialdried (MgSO4)
  15. concentrationconcentrated

Sources & evidence

ORD record
ord-b81f42b7977345ccbccaf1f4269eacfe
Source dataset
uspto-grants-2013_07
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08492405B2

Reaction notes

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