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

HRID 234581
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HRID 234581 반응식
[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]
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참가 물질

3

반응물 2

HCID 313Hydrochloric AcidHCID 13496994HCID 13496994, 화합물

생성물 1

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

실험 절차

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%).

후처리

  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

출처 및 근거

ORD 기록
ord-12129592ffc8484ba0a8cff1553ceb89
출처 데이터셋
uspto-grants-1997_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US05595685

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