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3-Benzyl-5,6,7,8,9,10-hexahydro[1,2,4]triazolo[4,3-a]azocine → 3-(3-Methyl-1-phenylcyclobutyl)-5,6,7,8,9,10-hexahydro[1,2,4]triazolo[4,3-a]azocine

HRID 349176
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HRID 349176 반응식
[CH2:1]([C:8]1[N:12]2[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][C:11]2=[N:10][N:9]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1>BrCC(C)CCl>[CH3:1][CH:2]1[CH2:7][C:1]([C:8]2[N:12]3[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][C:11]3=[N:10][N:9]=2)([C:2]2[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=2)[CH2:3]1
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3

반응물 1

HCID 227221323-Benzyl-5,6,7,8,9,10-hexahydro[1,2,4]triazolo[4,3-a]azocine

생성물 1

HCID 227221273-(3-Methyl-1-phenylcyclobutyl)-5,6,7,8,9,10-hexahydro[1,2,4]triazolo[4,3-a]azocine

시약·촉매·용매 1

HCID 955661-Bromo-3-chloro-2-methylpropane용매

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온도
-40 °C

실험 절차

3-Benzyl-5,6,7,8,9,10-hexahydro[1,2,4]triazolo[4,3-a]azocine (287.6 mg) and 1-bromo-3-chloro-2-methylpropane (140 μL) were dissolved in anhydrous, deoxygenated tetrahydrofuran, and the solution was cooled to −40° C. under an argon atmosphere. Potassium bis(trimethylsilyl)amide (KHMDS, 0.5M in toluene, 2.5 mL) was added dropwise. After 30 minutes, a second aliquot of KHMDS (2.5 mL) was added. After 30 additional minutes, KHMDS (2.15 mL) was added again, and the solution was allowed to slowly warm to room temperature. After one hour, the reaction was quenched with water and added to brine. After extraction with ethyl acetate, the organic layer was dried with magnesium sulfate, filtered, evaporated and purified by silica gel chromatography to give 3-[1-(4-chlorophenyl)-(Z)-3-(methoxymethoxy)cyclobutyl]-5,6,7,8,9,10-hexahydro[1,2,4]triazolo[4,3-a]azocine (4-10) as a ca. 1.2:1 mixture of isomers.

후처리

  1. customdeoxygenated tetrahydrofuran
  2. additionPotassium bis(trimethylsilyl)amide (KHMDS, 0.5M in toluene, 2.5 mL) was added dropwise
  3. additiona second aliquot of KHMDS (2.5 mL) was added
  4. additionAfter 30 additional minutes, KHMDS (2.15 mL) was added again
  5. temperatureto slowly warm to room temperature
  6. waitAfter one hour
  7. customthe reaction was quenched with water
  8. additionadded to brine
  9. extractionAfter extraction with ethyl acetate
  10. dry with materialthe organic layer was dried with magnesium sulfate
  11. filtrationfiltered
  12. customevaporated
  13. custompurified by silica gel chromatography

출처 및 근거

ORD 기록
ord-918a17c478f8403a9f9b42368e17b311
출처 데이터셋
uspto-grants-2007_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07179802B2

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