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Acetyl chloride → Tert-butyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylate

HRID 633889
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HRID 633889 반응식
[NH2:1]/[C:2](=[N:16]\[OH:17])/[CH:3]1[CH2:8][CH2:7][CH2:6][CH2:5][N:4]1[C:9]([O:11][C:12]([CH3:15])([CH3:14])[CH3:13])=[O:10].[CH3:18][CH2:19]N(C(C)C)C(C)C.C(Cl)(=O)C>C(#N)C>[CH3:18][C:19]1[O:17][N:16]=[C:2]([CH:3]2[CH2:8][CH2:7][CH2:6][CH2:5][N:4]2[C:9]([O:11][C:12]([CH3:14])([CH3:13])[CH3:15])=[O:10])[N:1]=1
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참가 물질

5

반응물 3

HCID 6367Acetyl chlorideHCID 81531DiisopropylethylamineHCID 45833400tert-butyl 2-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylate

생성물 1

HCID 68338143Tert-butyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylate수율 33.2%

시약·촉매·용매 1

HCID 6342Acetonitrile용매

반응 조건

온도
0 °C

실험 절차

In a 16 mL vial, tert-butyl 2-[(Z)-amino(hydroxyimino)methyl]piperidine-1-carboxylate (150 mg, 0.62 mmol; which may be prepared as described in Step 1) was dissolved in acetonitrile (6.2 mL) and cooled at 0° C. under nitrogen. DIPEA (324 μL, 1.86 mmol) and acetyl chloride (88 μL, 1.24 mmol) were added dropwise and the reaction mixture was allowed to warm to room temperature then heated to 100° C. for 4 h, cooled and concentrated. The residue was taken up in EtOAc and water. The two layers were separated and the aqueous phase extracted with EtOAc. The combined organics were dried on Na2SO4 and concentrated. The residue was taken up in o-xylene (7 mL) and heated to 150° C. for 3 h then concentrated. The crude mixture was purified on column chromatography (eluent: Pentane/EtOAc 7/3) to give the product (55 mg, 33%) as a yellow oil.

후처리

  1. temperatureto warm to room temperature
  2. temperaturethen heated to 100° C. for 4 h
  3. temperaturecooled
  4. concentrationconcentrated
  5. customThe two layers were separated
  6. extractionthe aqueous phase extracted with EtOAc
  7. customThe combined organics were dried on Na2SO4
  8. concentrationconcentrated
  9. temperatureheated to 150° C. for 3 h
  10. concentrationthen concentrated
  11. customThe crude mixture was purified on column chromatography (eluent: Pentane/EtOAc 7/3)

출처 및 근거

ORD 기록
ord-dc44500afe0a4a4fa0973b507d362234
출처 데이터셋
uspto-grants-2016_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09321769B2

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