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Water → 5-tert-Butyl4-dimethylthiocarbamoyloxy-2-methyl-benzoic acid methyl ester

HRID 1003854
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HRID 1003854 반응식
[CH3:1][O:2][C:3](=[O:16])[C:4]1[CH:9]=[C:8]([C:10]([CH3:13])([CH3:12])[CH3:11])[C:7]([OH:14])=[CH:6][C:5]=1[CH3:15].[H-].[Na+].[CH3:19][N:20]([CH3:24])[C:21](Cl)=[S:22].O>CN(C=O)C>[CH3:1][O:2][C:3](=[O:16])[C:4]1[CH:9]=[C:8]([C:10]([CH3:11])([CH3:12])[CH3:13])[C:7]([O:14][C:21](=[S:22])[N:20]([CH3:24])[CH3:19])=[CH:6][C:5]=1[CH3:15]
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참가 물질

6

반응물 4

HCID 962WaterHCID 24758Sodium hydrideHCID 27871Dimethylthiocarbamoyl chlorideHCID 10632819Methyl 5-(tert-butyl)-4-hydroxy-2-methylbenzoate

생성물 1

HCID 538656495-tert-Butyl4-dimethylthiocarbamoyloxy-2-methyl-benzoic acid methyl ester

시약·촉매·용매 1

HCID 6228
Dimethylformamide
용매

실험 절차

To a solution of 5-tert-butyl-4-hydroxy-2-methylbenzoic acid methyl ester from Example BBB (15.1 g, 68 mmol) in DMF (150 mL) was added NaH (3.3 g of a 60% dispersion, 82 mmol), and the mixture was stirred at room temperature for 1 hour. N,N-Dimethylthiocarbamoyl chloride (10.1 g, 82 mmol) was added all at once; the reaction mixture was stirred at 55° C. for 36 hours and then cooled to room temperature. H2O (200 mL) was added, and the solution was extracted with EtOAc. The combined extracts were washed with 1N NaOH, 1N HCl, and brine. The organic phase was dried (MgSO4) and concentrated. The residue was chromatographed on silica gel, eluting with 6:1 hexane:EtOAc, to give the title compound. 1H NMR (CDCl3) δ 1.37 (s, 9 H), 2.55 (s, 3 H), 3.39 (s, 3 H), 3.49 (s, 3 H), 3.89 (s, 3 H), 6.90 (s, 1 H), 8.01 (s, 1 H).

후처리

  1. stirringthe reaction mixture was stirred at 55° C. for 36 hours
  2. temperaturecooled to room temperature
  3. extractionthe solution was extracted with EtOAc
  4. washThe combined extracts were washed with 1N NaOH, 1N HCl, and brine
  5. dry with materialThe organic phase was dried (MgSO4)
  6. concentrationconcentrated
  7. customThe residue was chromatographed on silica gel
  8. washeluting with 6:1 hexane

출처 및 근거

ORD 기록
ord-0cb51f7cb1ec4ae7baa7b157a4eb3c52
출처 데이터셋
uspto-grants-2000_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06046355

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