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Hydrogen Bromide → 2-Bromo-1-(4-(dibenzylamino)-2-methylcyclopentyl)ethanone

HRID 1969584
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HRID 1969584 반응식
[C:1](Cl)(=O)C(Cl)=O.[CH2:7]([N:14]([CH2:24][C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1)[CH:15]1[CH2:19][CH:18]([C:20](O)=[O:21])[CH:17]([CH3:23])[CH2:16]1)[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1.CN(C=O)C.C[Si](C=[N+]=[N-])(C)C.[BrH:43].C([O-])(O)=O.[Na+]>C(Cl)Cl.C1COCC1.CC#N>[Br:43][CH2:1][C:20]([CH:18]1[CH2:19][CH:15]([N:14]([CH2:24][C:25]2[CH:26]=[CH:27][CH:28]=[CH:29][CH:30]=2)[CH2:7][C:8]2[CH:9]=[CH:10][CH:11]=[CH:12][CH:13]=2)[CH2:16][CH:17]1[CH3:23])=[O:21]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

10

반응물 6

HCID 260Hydrogen BromideHCID 6228DimethylformamideHCID 65578Oxalyl chlorideHCID 167693TrimethylsilyldiazomethaneHCID 516892Sodium BicarbonateHCID 585575354-(Dibenzylamino)-2-methylcyclopentanecarboxylic acid

생성물 1

HCID 58557145
2-Bromo-1-(4-(dibenzylamino)-2-methylcyclopentyl)ethanone
수율 69.3%

시약·촉매·용매 3

HCID 6342Acetonitrile용매2회HCID 6344Dichloromethane용매HCID 8028Tetrahydrofuran용매2회

실험 절차

Oxalyl chloride (4.37 mL, 49.9 mmol) was slowly added to a solution of 4-(dibenzylamino)-2-methylcyclopentanecarboxylic acid (7.34 g, 22.7 mmol, Example #7, step I) in DCM (100 mL), (note: mild gas evolution) followed by a dropwise addition of DMF (0.26 mL, 3.41 mmol). The mixture was stirred at ambient temperature for about 14 h. The solvent was removed under reduced pressure to yield a beige amorphous solid, which was dissolved in THF and MeCN (1:1, 100 mL) and added to a solution of trimethylsilyldiazomethane (2 M in Et2O, 39.7 mL, 79 mmol) in THF and MeCN (1:1, 100 mL) at about 0° C. The resulting mixture was stirred at about 0° C. for about 3 h and then was quenched by a dropwise addition of HBr (48% aqueous, 25 mL, 221 mmol). The resulting mixture was neutralized by a dropwise addition of saturated aqueous NaHCO3 (300 mL) and the layers were separated. The organic layer was dried over anhydrous MgSO4 and concd under reduced pressure. The residue was purified by silica gel flash chromatography eluting with 5% to 45% of EtOAc in heptane to yield 2-bromo-1-(4-(dibenzylamino)-2-methylcyclopentyl)ethanone (6.3 g, 69%) as a yellow oil: LC/MS (Table 1, Method a) Rt=2.90 min; MS m/z 400, 402 (M+H)+.

후처리

  1. customThe solvent was removed under reduced pressure
  2. customto yield a beige amorphous solid, which
  3. stirringThe resulting mixture was stirred at about 0° C. for about 3 h
  4. customthe layers were separated
  5. dry with materialThe organic layer was dried over anhydrous MgSO4 and concd under reduced pressure
  6. customThe residue was purified by silica gel flash chromatography
  7. washeluting with 5% to 45% of EtOAc in heptane

출처 및 근거

ORD 기록
ord-e88a7eb5ef124af58f84f742f38489d6
출처 데이터셋
uspto-grants-2013_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08426411B2

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