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Sulfuric Acid → 4-Iodo-2-(trifluoromethyl)benzoic acid

HRID 1946321
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HRID 1946321 반응식
N[C:2]1[CH:10]=[CH:9][C:5]([C:6]([OH:8])=[O:7])=[C:4]([C:11]([F:14])([F:13])[F:12])[CH:3]=1.S(=O)(=O)(O)O.N([O-])=O.[Na+].[I-:24].[K+]>O>[I:24][C:2]1[CH:10]=[CH:9][C:5]([C:6]([OH:8])=[O:7])=[C:4]([C:11]([F:14])([F:13])[F:12])[CH:3]=1
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참가 물질

6

반응물 4

HCID 1118Sulfuric AcidHCID 4875Potassium IodideHCID 38363254-amino-2-(trifluoromethyl)benzoic AcidHCID 23668193Sodium Nitrite

생성물 1

HCID 177333644-Iodo-2-(trifluoromethyl)benzoic acid

시약·촉매·용매 1

HCID 962Water용매

실험 절차

To a suspension of 4-amino-2-(trifluoromethyl)benzoic acid (10 g, 48.7 mmol, Apollo) in water (43 ml) in an ice-water bath (internal temperature at 5° C.) was added concentrated sulphuric acid specific gravity 1.84 (7 mL, 131 mmol). To the slight suspension was added a solution of sodium nitrite, super free flowing (3.76 g, 54.5 mmol, Aldrich) in ice cold water (20 ml) dropwise. The suspension was stirred in an ice-water bath for 20 min. To the mixture was added a solution of potassium iodide, extra pure briquettes (12.14 g, 73.1 mmol, Acros) in ice cold 1 M sulphuric acid (30 ml). The mixture was allowed to warm to ambient temperature and then heated to 80° C. for 45 min under nitrogen. The mixture was allowed to cool to ambient temperature. The mixture was partitioned between ethyl acetate (300 ml) and water (300 ml). The phases were separated and the organic phase washed with brine (50 ml×2), dried (MgSO4), filtered and the solvent removed in vacuo to give the title compound as a dark brown solid (16.7 g); LCMS: (System 4) (M-H)−=315, tRET=2.64 min.

후처리

  1. temperatureheated to 80° C. for 45 min under nitrogen
  2. temperatureto cool to ambient temperature
  3. customThe mixture was partitioned between ethyl acetate (300 ml) and water (300 ml)
  4. customThe phases were separated
  5. washthe organic phase washed with brine (50 ml×2)
  6. dry with materialdried (MgSO4)
  7. filtrationfiltered
  8. customthe solvent removed in vacuo

출처 및 근거

ORD 기록
ord-1e6d053339f541b681efe74780055927
출처 데이터셋
uspto-grants-2013_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08399436B2

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