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Hydrochloric Acid → 7-(2-Bromothiophen-3-yl)-5-(1-hydroxyguanidin-3-yl)imino-4-methyl-5,6,7,8-tetrahydroquinoline hydrochloride

HRID 1700668
Notes
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Reaction equation

HRID 1700668 reaction equation
[Br:1][C:2]1[S:3][CH:4]=[CH:5][C:6]=1[CH:7]1[CH2:16][C:15]2[N:14]=[CH:13][CH:12]=[C:11]([CH3:17])[C:10]=2[C:9](=O)[CH2:8]1.C1(C)C=CC(S(O)(=O)=O)=CC=1.[NH2:30][NH:31][C:32]([NH:34][OH:35])=[NH:33].[ClH:36]>C(O)C>[ClH:36].[Br:1][C:2]1[S:3][CH:4]=[CH:5][C:6]=1[CH:7]1[CH2:16][C:15]2[N:14]=[CH:13][CH:12]=[C:11]([CH3:17])[C:10]=2[C:9](=[N:30][NH:31][C:32](=[NH:33])[NH:34][OH:35])[CH2:8]1
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 183174237-(2-Bromothiophen-3-yl)-4-methyl-5,6,7,8-tetrahydroquinolin-5-oneHCID 178427660HCID 178427660, compound

Product 1

HCID 1784281627-(2-Bromothiophen-3-yl)-5-(1-hydroxyguanidin-3-yl)imino-4-methyl-5,6,7,8-tetrahydroquinoline hydrochloride

Reagents, catalysts & solvents 1

HCID 702Ethanol
Solvent

Conditions

Temperature
90 °C

Procedure

To a mixture of 7-(2-bromothiophen-3-yl)-4-methyl-5,6,7,8-tetrahydroquinolin-5-one (0.245 g) and 1-amino-3-hydroxyguanidine p-toluenesulfonate (262 mg) were added ethanol (3 ml) and concentrated hydrochloric acid (0.1 ml), and the mixture was stirred at 90° C. for 2 hours. Under reduced pressure, the solvent was evaporated, and to the residue was added 0.2N sodium hydroxide solution (20 ml). The mixture was extracted with a mixture of ethyl acetate (20 ml) and tetrahydrofuran (20 ml). The organic layer was washed with 0.2N sodium hydroxide solution (20 ml) and water, to which was added 2N hydrochloric acid (0.8 ml). The mixture was concentrated, and to the residue was added ethanol (3 ml). The mixture was stirred at 90° C. for 3 hours and cooled, and precipitated crystals were filtered, washed with ethanol and dried to give 7-(2-bromothiophen-3-yl)-5-(1-hydroxyguanidin-3-yl)imino-4-methyl-5,6,7,8-tetrahydroquinoline hydrochloride (Compound 125) (0.215 g) as pale yellow crystals.

Workup

  1. customUnder reduced pressure, the solvent was evaporated
  2. additionto the residue was added 0.2N sodium hydroxide solution (20 ml)
  3. extractionThe mixture was extracted with a mixture of ethyl acetate (20 ml) and tetrahydrofuran (20 ml)
  4. washThe organic layer was washed with 0.2N sodium hydroxide solution (20 ml) and water, to which
  5. additionwas added 2N hydrochloric acid (0.8 ml)
  6. concentrationThe mixture was concentrated
  7. additionto the residue was added ethanol (3 ml)
  8. stirringThe mixture was stirred at 90° C. for 3 hours
  9. temperaturecooled
  10. customprecipitated crystals
  11. filtrationwere filtered
  12. washwashed with ethanol
  13. customdried

Sources & evidence

ORD record
ord-d70f6adba62f44408a2c4543e32349a2
Source dataset
uspto-grants-2002_02
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US06350749B1

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes