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Dimethylformamide → N-2-adamantyl-4-[3-(ethylsulfonyl)propyl]bicyclo[2.2.2]octane-1-carboxamide

HRID 605516
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HRID 605516 반응식
[CH2:1]([S:3]([CH2:6][CH2:7][CH2:8][C:9]12[CH2:16][CH2:15][C:12]([C:17]([OH:19])=O)([CH2:13][CH2:14]1)[CH2:11][CH2:10]2)(=[O:5])=[O:4])[CH3:2].C(Cl)(=O)C(Cl)=O.CN(C=O)C.[CH:31]12[CH2:40][CH:35]3[CH2:36][CH:37]([CH2:39][CH:33]([CH2:34]3)[CH:32]1[NH2:41])[CH2:38]2>C(Cl)Cl.C(N(CC)CC)C>[CH:31]12[CH2:40][CH:35]3[CH2:36][CH:37]([CH2:39][CH:33]([CH2:34]3)[CH:32]1[NH:41][C:17]([C:12]13[CH2:11][CH2:10][C:9]([CH2:8][CH2:7][CH2:6][S:3]([CH2:1][CH3:2])(=[O:4])=[O:5])([CH2:14][CH2:13]1)[CH2:16][CH2:15]3)=[O:19])[CH2:38]2
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반응물 4

HCID 6228DimethylformamideHCID 253322-AminoadamantaneHCID 65578Oxalyl chlorideHCID 225916994-[3-(Ethylsulfonyl)propyl]bicyclo[2.2.2]octane-1-carboxylic acid

생성물 1

HCID 11604197N-2-adamantyl-4-[3-(ethylsulfonyl)propyl]bicyclo[2.2.2]octane-1-carboxamide

시약·촉매·용매 2

HCID 6344
Dichloromethane
용매
2회
HCID 8471Triethylamine용매

실험 절차

Carboxylic acid 2-8 (0.100 g, 0.348 mmol) was dissolved in 2 mL of anhydrous methylene chloride under nitrogen atmosphere, treated with oxalyl chloride (2 M in methylene chloride, 2 eq., 0.348 mL, 0.696 mmol) and subsequently with 0.050 ml of DMF. The reaction was stirred at room temperature under nitrogen atmosphere for 90 min, then evaporated and placed under vacuum for 20 min. The acid chloride was dissolved in anhydrous methylene chloride (2 mL), and then treated with triethylamine (0.100 ml) and 2-adamantylamine (2 eq., 105 mg). The reaction stirred at ambient temperature for 1 hr. The mixture was diluted with 20 mL of methylene chloride and washed with 1N aqueous HCl, saturated aqueous sodium bicarbonate, and brine. The organic layer was dried over anhydrous sodium sulfate and evaporated. The product was purified using a Gilson HPLC with UV detection equipped with a C18 reverse phase column running a gradient of water/acetonitrile (0.1% TFA). The fractions containing product were concentrated to remove some of the acetonitrile and the lyophilized to provide pure product N-2-adamantyl-4-[3-(ethylsulfonyl)propyl]bicyclo[2.2.2]octane-1-carboxamide (2-9) as a white fluffy amorphous solid.

후처리

  1. customevaporated
  2. waitplaced under vacuum for 20 min
  3. dissolutionThe acid chloride was dissolved in anhydrous methylene chloride (2 mL)
  4. stirringThe reaction stirred at ambient temperature for 1 hr
  5. washwashed with 1N aqueous HCl, saturated aqueous sodium bicarbonate, and brine
  6. dry with materialThe organic layer was dried over anhydrous sodium sulfate
  7. customevaporated
  8. customThe product was purified
  9. customequipped with a C18 reverse phase column
  10. additionThe fractions containing product
  11. concentrationwere concentrated
  12. customto remove some of the acetonitrile

출처 및 근거

ORD 기록
ord-087d336b96fd459f94db83efe11579d0
출처 데이터셋
uspto-grants-2011_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07915252B2

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