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Hydrochloric Acid → 1-Aminooctan-2-one--hydrogen chloride (1/1)

HRID 234581
Notes
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Reaction equation

HRID 234581 reaction equation
[CH2:1]([C:7]1[O:11]C=[N:9][C:8]=1C(OCC)=O)[CH2:2][CH2:3][CH2:4][CH2:5][CH3:6].[ClH:17]>>[ClH:17].[O:11]=[C:7]([CH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[CH2:8][NH2:9]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

3

Reactant 2

HCID 313Hydrochloric AcidHCID 13496994HCID 13496994, compound

Product 1

HCID 233547891-Aminooctan-2-one--hydrogen chloride (1/1)Yield 40%

Procedure

In a 100 ml-three-necked flask, 2.26 g (20,0 mM) of ethylisocyanoacetate and 27 ml of tetrahydrofuran were placed. To the mixture, 2.99 ml (20.0 mM) of 1,8-diazobicyclo[5,4,0]-7-undecene (DBU) was added on an ice water bath under stirring. To the mixture, a solution of 4.84 g (20.0 mM) of heptanoic anhydride in 7 ml of tetrahydrofuran was added dropwise on the ice water bath under stirring, followed by stirring for 4.5 hours at room temperature. The reaction mixture was further left standing for 2 days at room temperature. The resultant reaction mixture was poured into water, followed by extraction with ethyl acetate. The organic layer was dried with anhydrous sodium sulfate and further dried under reduced pressure. The residue was purified by silica gel column chromatography (eluent: toluene/ethyl acetate=100/1) to provide 4.28 g of ethyl 5-hexyloxazole-4-carboxylate (Yield: 95.1%). Then, 2.10 g (9.32 mM) of ethyl 5-hexyloxazole-4-carboxylate and 28.4 ml of 6N-hydrochloric acid were placed in a 100 ml-round-bottomed flask, followed by heat-refluxing for 5 hours under stirring. After the reaction, the reaction mixture was washed two times with ethyl acetate. The water layer was dried under reduced pressure. The residue was recrystallized from a mixture solvent of methanol-isopropyl ether to obtain 0.67 g of 2-oxooctylamine hydrochloride (Yield: 40.0%).

Workup

  1. temperatureby heat-refluxing for 5 hours
  2. customAfter the reaction
  3. washthe reaction mixture was washed two times with ethyl acetate
  4. dry with materialThe water layer was dried under reduced pressure
  5. customThe residue was recrystallized from a mixture solvent of methanol-isopropyl ether

Sources & evidence

ORD record
ord-12129592ffc8484ba0a8cff1553ceb89
Source dataset
uspto-grants-1997_01
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US05595685

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes