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

HRID 1003854
ノート
印刷プレビュー

反応式

HRID 1003854 の反応式
[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]
参加物実験手順後処理出典と根拠反応ノート

参加物

6

反応物 4

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

生成物 1

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

試薬・触媒・溶媒 1

HCID 6228Dimethylformamide
溶媒

実験手順

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).

後処理

  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

出典と根拠

ORDレコード
ord-0cb51f7cb1ec4ae7baa7b157a4eb3c52
出典データセット
uspto-grants-2000_04
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US06046355

反応ノート

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