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Acetic Acid → 4-[2-(4-Bromo-2-methyl-phenylamino)-ethyl]-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester

HRID 1516371
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HRID 1516371 반응식
[CH3:1][C:2]1[CH:8]=[C:7]([Br:9])[CH:6]=[CH:5][C:3]=1[NH2:4].[CH2:10]([O:12][C:13]([C:15]1([CH2:28][CH:29]=O)[CH2:20][CH2:19][N:18]([C:21]([O:23][C:24]([CH3:27])([CH3:26])[CH3:25])=[O:22])[CH2:17][CH2:16]1)=[O:14])[CH3:11].C(O)(=O)C.[BH-](OC(C)=O)(OC(C)=O)OC(C)=O.[Na+].NC1C=CC=CC=1>ClCCCl.C(Cl)Cl.CO>[CH2:10]([O:12][C:13]([C:15]1([CH2:28][CH2:29][NH:4][C:3]2[CH:5]=[CH:6][C:7]([Br:9])=[CH:8][C:2]=2[CH3:1])[CH2:20][CH2:19][N:18]([C:21]([O:23][C:24]([CH3:27])([CH3:26])[CH3:25])=[O:22])[CH2:17][CH2:16]1)=[O:14])[CH3:11]
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참가 물질

9

반응물 5

HCID 176Acetic AcidHCID 6115Aniline2회HCID 114234-Bromo-2-methylanilineHCID 5049666Sodium triacetoxyborohydrideHCID 584784234-(2-Oxoethyl)-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester

생성물 1

HCID 67421698
4-[2-(4-Bromo-2-methyl-phenylamino)-ethyl]-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester
수율 41%

시약·촉매·용매 3

HCID 111,2-Dichloroethane용매2회HCID 887Methanol용매HCID 6344Dichloromethane용매2회

실험 절차

2-Methyl-4-bromo-aniline (0.637 g, 3.427 mmol) was dissolved in DCE (15 mL); to this solution was transferred a solution of 4-(2-oxo-ethyl)-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester (1.03 g, 3.425 mmol) in DCE (35 mL). The flask was submerged in a water bath at rt. To this clear solution was then added acetic acid (0.647 g, 10.8 mmol, 3.1 equiv), followed by addition of powder NaBH(OAc)3 (2.18 g, 10.3 mmol, 3 equiv.) under N2 at r.t. The yellowish milky suspension was stirred at r.t. overnight. LC/MS showed m/z 469/471 at t=4.930 min. along with small amount of aniline sm at 2.103 (186/188). TLC (5% of MeOH in DCM) showed no SM. of aldehyde, but aniline. The reaction was diluted with DCM (20 mL), cooled to ice-water bath, and quenched with 10 mL of 1N NH4OH. The two layers were separated, and the aqueous layer was extracted with DCM (15 mL×3). The combined DCM extracts were washed with sodium bicarbonate (10 mL), and brine (10 mL), dried (anhydrous potassium carbonate), filtered, and concentrated. The product was purified on a 40 g-silica gel column eluted with 0-2% of MeOH in DCM to get 0.65 g (41%) of the title compound as an oil.

후처리

  1. customThe flask was submerged in a water bath at rt
  2. customat t=4.930 min.
  3. temperaturecooled to ice-water bath
  4. customquenched with 10 mL of 1N NH4OH
  5. customThe two layers were separated
  6. extractionthe aqueous layer was extracted with DCM (15 mL×3)
  7. washThe combined DCM extracts were washed with sodium bicarbonate (10 mL), and brine (10 mL)
  8. dry with materialdried (anhydrous potassium carbonate)
  9. filtrationfiltered
  10. concentrationconcentrated
  11. customThe product was purified on a 40 g-silica gel column
  12. washeluted with 0-2% of MeOH in DCM

출처 및 근거

ORD 기록
ord-e58a3babedb4447f8b13e6d241e22c52
출처 데이터셋
uspto-grants-2012_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08227481B2

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