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1-Methyl-2-pyrrolecarboxylic acid → HCID 58157688, compound

HRID 468675
Notes
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Reaction equation

HRID 468675 reaction equation
[CH3:1][N:2]1[CH:6]=[CH:5][CH:4]=[C:3]1[C:7]([OH:9])=O.F[P-](F)(F)(F)(F)F.C[N+](C)=C(N(C)C)ON1C2N=CC=CC=2N=N1.C(N(CC)C(C)C)(C)C.[CH3:43][C:44]1[C:48]2[CH2:49][NH:50][CH2:51][CH2:52][C:47]=2[S:46][C:45]=1[C:53]([O:55][CH2:56][CH3:57])=[O:54]>CN(C)C=O>[CH3:43][C:44]1[C:48]2[CH2:49][N:50]([C:7]([C:3]3[N:2]([CH3:1])[CH:6]=[CH:5][CH:4]=3)=[O:9])[CH2:51][CH2:52][C:47]=2[S:46][C:45]=1[C:53]([O:55][CH2:56][CH3:57])=[O:54]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 4

HCID 814531-Methyl-2-pyrrolecarboxylic acidHCID 81531DiisopropylethylamineHCID 9886157Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 58157568Thieno[3,2-c]pyridine-2-carboxylic acid, 4,5,6,7-tetrahydro-3-methyl-, ethyl ester

Product 1

HCID 58157688HCID 58157688, compound

Reagents, catalysts & solvents 1

HCID 6228DimethylformamideSolvent2×

Procedure

A solution of N-methylpyrrole-2-carboxylic acid (12.5 mg, 0.1 mmol), N,N,N′,N′-tetramethyl-O-(7-azabenzotriazol-1-yl)uronium hexafluorophosphate (0.048 g, 0.11 mmol) and N,N-diisopropylethylamine (52.2 μL, 0.3 mmol) in N,N-dimethylformamide (1 mL, 12.9 mmol) was stirred at room temperature for 15 minutes. A solution of ethyl 3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate (22.5 mg, 0.1 mmol) in N,N-dimethylformamide (1 mL) was then added and the reaction was further stirred at room temperature overnight. The solution was evaporated to dryness and the residue obtained was partitioned between DCM (2 mL) and half-saturated aqueous sodium bicarbonate solution (2 mL). Upon separation of the layers, the aqueous layer was extracted with additional DCM (2 mL) and the combined organic layers were concentrated to dryness.

Workup

  1. customThe solution was evaporated to dryness
  2. customthe residue obtained
  3. customwas partitioned between DCM (2 mL) and half-saturated aqueous sodium bicarbonate solution (2 mL)
  4. customUpon separation of the layers
  5. extractionthe aqueous layer was extracted with additional DCM (2 mL)
  6. concentrationthe combined organic layers were concentrated to dryness

Sources & evidence

ORD record
ord-595794b9442749f6afdba6ef3c09cee5
Source dataset
uspto-grants-2014_01
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08624040B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes