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Pyridine → HCID 68701529, compound

HRID 1624884
Notes
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Reaction equation

HRID 1624884 reaction equation
[CH2:1]([N:4]1[C:9](=[O:10])[C:8]([Br:11])=[N:7][NH:6][C:5]1=[O:12])[CH:2]=[CH2:3].[C:13]([NH:16][C:17]1[CH:18]=[C:19](B(O)O)[CH:20]=[CH:21][CH:22]=1)(=[O:15])[CH3:14].N1C=CC=CC=1>CN(C=O)C.C([O-])(O)=O.[Na+].C([O-])(=O)C.[Cu+2].C([O-])(=O)C>[CH2:1]([N:4]1[C:9](=[O:10])[C:8]([Br:11])=[N:7][N:6]([C:21]2[CH:22]=[C:17]([NH:16][C:13](=[O:15])[CH3:14])[CH:18]=[CH:19][CH:20]=2)[C:5]1=[O:12])[CH:2]=[CH2:3]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 3

HCID 1049PyridineHCID 157274(3-Acetamidophenyl)boronic acidHCID 68702647HCID 68702647, compound

Product 1

HCID 68701529HCID 68701529, compoundYield 46.2%

Reagents, catalysts & solvents 3

HCID 8895Cupric acetateCatalyst
HCID 6228
Dimethylformamide
Solvent
HCID 516892Sodium BicarbonateSolvent

Conditions

Temperature
65 °C

Procedure

According to Scheme 3 Step 2: A mixture of compound 6(A) (1.10 g, 4.74 mmol), 3-acetamidophenylboronic acid (1.20 g, 6.64 mmol), copper acetate (258 mg, 1.42 mmol) and pyridine (229 μL, 2.84 mmol) in DMF (30 mL) was stirred at 65° C. during 15 h under room atmosphere. The mixture was diluted with 50 mL of a saturated solution of NaHCO3 and the aqueous layer was extracted twice with 60 mL of DCM. The organic layers were combined dried over MgSO4, filtered filtrated and concentrated under reduce pressure to afford a brown solid. The crude solid was purified by flash chromatography with silica gel (Merck Flashmart prepacked column 10 g SiO2) (Eluant: CH2Cl2/MeOH 98/2) to afford N-(3-(4-allyl-6-bromo-3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)phenyl)acetamide 6(B) (800 mg, 46%) as a colorless oil.

Workup

  1. extractionthe aqueous layer was extracted twice with 60 mL of DCM
  2. dry with materialThe organic layers were combined dried over MgSO4
  3. filtrationfiltered
  4. filtrationfiltrated
  5. concentrationconcentrated
  6. customto afford a brown solid
  7. customThe crude solid was purified by flash chromatography with silica gel (Merck Flashmart prepacked column 10 g SiO2) (Eluant: CH2Cl2/MeOH 98/2)

Sources & evidence

ORD record
ord-b76fa3629b7044089b7b8a591b962b4a
Source dataset
uspto-grants-2014_07
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08779129B2

Reaction notes

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