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Hydrochloric Acid → 2-Butyl-3-oxo-1,2,3,4,5,6,7,8-octahydroisoquinoline-4-carbonitrile

HRID 1994276
Notes
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Reaction equation

HRID 1994276 reaction equation
[CH2:1]([N:5]1[C:14](=[O:15])[C:13]([C:16]#[N:17])=[C:12]2[C:7]([CH2:8][CH2:9][CH2:10][CH2:11]2)=[CH:6]1)[CH2:2][CH2:3][CH3:4].C1(C)C=CC=CC=1.[H-].C([Al+]CC(C)C)C(C)C.Cl>C1(C)C=CC=CC=1>[CH2:1]([N:5]1[C:14](=[O:15])[CH:13]([C:16]#[N:17])[C:12]2[CH2:11][CH2:10][CH2:9][CH2:8][C:7]=2[CH2:6]1)[CH2:2][CH2:3][CH3:4]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 222664592-Butyl-3-oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrileHCID 86583787Diisobutylaluminumhydride toluene

Product 1

HCID 222665342-Butyl-3-oxo-1,2,3,4,5,6,7,8-octahydroisoquinoline-4-carbonitrileYield 70.1%

Reagents, catalysts & solvents 1

HCID 1140Toluene
Solvent

Procedure

2-Butyl-3-oxol-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile (7-012) (100 mg, 0.43 mmol) was dissolved in toluene (10 mL), and to the reaction mixture was added 1 M diisobutylaluminium hydride toluene solution (0.8 mL, 0.8 mmol) under ice-cooling, and the reaction mixture was stirred for 10 min. To the reaction mixture was added 1 mol/L diluted hydrochloric acid (5 mL), and the reaction mixture was extracted with ethyl acetate (10 mL), washed with brine (5 mL), dried over anhydrous magnesium sulfate, and evaporated under reduced pressure. The obtained residue was purified by silica gel column chromatography (toluene/ethyl acetate) to give 2-butyl-3-oxo-1,2,3,4,5,6,7,8-octahydroisoquinoline-4-carbonitrile (7-018) (70 mg, 70%) as a white powder.

Workup

  1. temperaturecooling
  2. extractionthe reaction mixture was extracted with ethyl acetate (10 mL)
  3. washwashed with brine (5 mL)
  4. dry with materialdried over anhydrous magnesium sulfate
  5. customevaporated under reduced pressure
  6. customThe obtained residue was purified by silica gel column chromatography (toluene/ethyl acetate)

Sources & evidence

ORD record
ord-f65e8d561c3b4a07ac15ec2ef79d2c68
Source dataset
uspto-grants-2010_01
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07652141B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes