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Dimethylacetamide → 10-bromo-3-(2-chlorobenzyl)-6,7-dihydro-5H-5,7-methanobenzo[c]imidazo[1,2-a]azepine-2-carboxamide

HRID 575467
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HRID 575467 반응식
[Br:1][C:2]1[CH:3]=[CH:4][C:5]2[CH:11]3[CH2:12][CH:9]([CH2:10]3)[N:8]3[C:13](I)=[C:14]([C:16](OC)=[O:17])[N:15]=[C:7]3[C:6]=2[CH:21]=1.[Br-].[Cl:23][C:24]1[CH:31]=[CH:30][CH:29]=[CH:28][C:25]=1[CH2:26][Zn+].CC([N:35](C)C)=O>[Zn]>[Br:1][C:2]1[CH:3]=[CH:4][C:5]2[CH:11]3[CH2:10][CH:9]([CH2:12]3)[N:8]3[C:13]([CH2:26][C:25]4[CH:28]=[CH:29][CH:30]=[CH:31][C:24]=4[Cl:23])=[C:14]([C:16]([NH2:35])=[O:17])[N:15]=[C:7]3[C:6]=2[CH:21]=1
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5

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HCID 31374DimethylacetamideHCID 86693477Methyl 10-bromo-3-iodo-6,7-dihydro-5H-5,7-methanobenzo[c]imidazo[1,2-a]azepine-2-carboxylateHCID 178478033HCID 178478033, 화합물

생성물 1

HCID 8669353210-bromo-3-(2-chlorobenzyl)-6,7-dihydro-5H-5,7-methanobenzo[c]imidazo[1,2-a]azepine-2-carboxamide

시약·촉매·용매 1

HCID 23994Zinc촉매

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온도
50 °C

실험 절차

A solution of methyl 10-bromo-3-iodo-6,7-dihydro-5H-5,7-methanobenzo[c]imidazo[1,2-a]azepine-2-carboxylate (150 mg, 0.33 mmol) in dry dimethylacetamide (DMA, 1.0 mL) was sparged with nitrogen gas and treated with PdCl2-[P(o-Tol)3]2 (27 mg, 0.033 mmol). A degassed solution of 2-chlorobenzylzinc bromide (0.61 M, 0.96 mL, 0.59 mmol) was added over 5 min dropwise. The flask was sealed under nitrogen and heated at 50° C. An additional 0.5 mL, of the zinc reagent was added under nitrogen sparge. After 30 min, LCMS indicated complete consumption. The mixture was diluted with ammonium chloride and extracted with ethyl acetate. The combined organics were washed with brine, dried over sodium sulfate and concentrated by rotoevaporation. The crude residue was dissolved in DMF (2 mL) and treated with formamide (1 mL) then sodium methoxide (0.5 mL, 25 wt % in methanol). After 20 min at 50° C., complete conversion to the amide was evident by LCMS. The mixture was diluted with water and extracted with ethyl acetate. The combined organics were washed with brine, dried over sodium sulfate and concentrated by rotoevaporation. The amide was used in subsequent steps without further purification.

후처리

  1. customThe flask was sealed under nitrogen
  2. customsparge
  3. customconsumption
  4. additionThe mixture was diluted with ammonium chloride
  5. extractionextracted with ethyl acetate
  6. washThe combined organics were washed with brine
  7. dry with materialdried over sodium sulfate
  8. concentrationconcentrated by rotoevaporation
  9. dissolutionThe crude residue was dissolved in DMF (2 mL)
  10. additiontreated with formamide (1 mL)
  11. waitAfter 20 min at 50° C.
  12. additionThe mixture was diluted with water
  13. extractionextracted with ethyl acetate
  14. washThe combined organics were washed with brine
  15. dry with materialdried over sodium sulfate
  16. concentrationconcentrated by rotoevaporation
  17. customThe amide was used in subsequent steps without further purification

출처 및 근거

ORD 기록
ord-d5de18719a03437aab172cfaaa81a7a3
출처 데이터셋
uspto-grants-2015_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09034866B2

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