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Hydrochloric Acid → HCID 16639509, compound

HRID 2380778
Notes
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Reaction equation

HRID 2380778 reaction equation
[NH2:1][C:2]1[CH:6]=[CH:5][S:4][C:3]=1[C:7]([O:9][CH3:10])=[O:8].Cl.[N:12]([O-])=O.[Na+].C([O-])([O-])=O.[K+].[K+].[CH3:22][NH:23][CH3:24]>O>[CH3:22][N:23]([N:12]=[N:1][C:2]1[CH:6]=[CH:5][S:4][C:3]=1[C:7]([O:9][CH3:10])=[O:8])[CH3:24]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 5

HCID 313Hydrochloric AcidHCID 674DimethylamineHCID 11430Potassium CarbonateHCID 89652Methyl 3-amino-2-thiophenecarboxylateHCID 23668193Sodium Nitrite

Product 1

HCID 16639509HCID 16639509, compoundYield 88.5%

Reagents, catalysts & solvents

1
HCID 962WaterSolvent2×

Conditions

Temperature
2.5 °C

Procedure

To a solution of methyl 3-aminothiophene-2-carboxylate (0.5 g, 3.18 mmol) and conc. HCl (1.3 mL, 12.73 mmol) in H2O (7.5 mL) was added NaNO2 (0.24 g, 3.50 mmol) in portions for 5 min at 0° C. After stirring for 0.5 h at 0-5° C., the reaction mixture was added to the solution of K2CO3 (1.66 g, 12.09 mmol) and dimethylamine (1.3 mL, 40%, 11.46 mmol) in H2O (9 mL) at 0° C. The mixture was stirred at 0-5° C. for 1 h and poured into ice cold water. The solution was extracted with chloroform (3×30 mL). The combined CHCl3 layer was washed with water, brine and dried over sodium sulfate. The solution was filtered and evaporated the solvent. The residue was chromatographed over silica gel column using hexane-EtOAc (80:20) as eluents to give the product as pale orange color solid (600 mg, 88%), mp 74-76° C. 1H NMR (400 MHz, CDCl3): δ 7.33 (1H, d, J=5.6 Hz), 7.24 (1H, d, J=5.6 Hz), 3.87 (3H, s), 3.52 (3H, s), 3.29 (3H, s); LC-MS (positive ion mode): m/z 214 (M+H)+.

Workup

  1. stirringThe mixture was stirred at 0-5° C. for 1 h
  2. additionpoured into ice cold water
  3. extractionThe solution was extracted with chloroform (3×30 mL)
  4. washThe combined CHCl3 layer was washed with water, brine
  5. dry with materialdried over sodium sulfate
  6. filtrationThe solution was filtered
  7. customevaporated the solvent
  8. customThe residue was chromatographed over silica gel column

Sources & evidence

ORD record
ord-2a6d6f539e8140ccb0840405361d5319
Source dataset
uspto-grants-2012_09
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08258119B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes