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Citric Acid → tert-butyl N-[4-(3-bromo-5-hydroxyphenyl)sulfonyl-5-methylsulfanylthiophene-2-carboximidoyl]carbamate

HRID 723043
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HRID 723043 반응식
CO[C:3]([C:5]1[S:6][C:7]([S:25][CH3:26])=[C:8]([S:10]([C:13]2[CH:18]=[C:17]([O:19]C(C)(C)C)[CH:16]=[C:15]([Br:24])[CH:14]=2)(=[O:12])=[O:11])[CH:9]=1)=O.C(OC(C)(C)C)(C)(C)C.C(OC(OC(C)(C)C)=O)(OC(C)(C)C)=O.C([N:54](C(C)C)CC)(C)C.C(O)(=O)[CH2:61][C:62]([CH2:67]C(O)=O)([C:64](O)=O)[OH:63].C[N:74]([CH:76]=[O:77])C>CN(C1C=CN=CC=1)C.CCOC(C)=O>[C:62]([O:63][C:76](=[O:77])[NH:74][C:3]([C:5]1[S:6][C:7]([S:25][CH3:26])=[C:8]([S:10]([C:13]2[CH:18]=[C:17]([OH:19])[CH:16]=[C:15]([Br:24])[CH:14]=2)(=[O:11])=[O:12])[CH:9]=1)=[NH:54])([CH3:61])([CH3:64])[CH3:67]
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참가 물질

9

반응물 6

HCID 311Citric AcidHCID 6228DimethylformamideHCID 22541Di-tert-butyl etherHCID 81531DiisopropylethylamineHCID 90495Di-tert-butyl dicarbonateHCID 210571734-(3-Bromo-5-tert-butoxy-benzenesulfonyl)-5-methylsulfanyl-thiophene-2-carboxylic acid methyl ester

생성물 1

HCID 140043482
tert-butyl N-[4-(3-bromo-5-hydroxyphenyl)sulfonyl-5-methylsulfanylthiophene-2-carboximidoyl]carbamate

시약·촉매·용매 2

HCID 142844-(Dimethylamino)pyridine촉매HCID 8857Ethyl Acetate용매

실험 절차

Following the procedure and workup in Example 14: step f, the 4-(3-bromo-5-tert-butoxy-benzenesulfonyl)-5-methylsulfanyl-thiophene-2-carboxylic acid methyl ester ((Example 12: step c) 1.48 g, 3.1 mmol) was converted to the amidine (40 mL of dimethylaluminum amide reagent) with concomitant removal of the tert-butyl ether. A portion of the crude amidine (800 mg) was dissolved in DMF and di-tert-butyl dicarbonate (436 mg, 2 mmol), diisopropylethylamine (350 μL, 2 mmol), and DMAP (50 mg) were added. After stirring for 16 h, the solution was poured into EtOAc (60 mL) and citric acid (20 mL). The layers were separated and the organic layer was further extracted with citric acid (10 mL), NaHCO3 (2×20 mL), water (5×10 mL), and brine (30 mL). After drying over sodium sulfate and removal of solvent in vacuo, the residue was dissolved in MeOH and solid K2CO3 was added. The mixture was stirred overnight, the solution was filtered, and the solvent was removed in vacuo. Purification of the residue by SiO2 flash chromatography yielded the title compound (80 mg, 0.158 mmol).

후처리

  1. customThe layers were separated
  2. extractionthe organic layer was further extracted with citric acid (10 mL), NaHCO3 (2×20 mL), water (5×10 mL), and brine (30 mL)
  3. dry with materialAfter drying over sodium sulfate and removal of solvent in vacuo
  4. dissolutionthe residue was dissolved in MeOH
  5. additionsolid K2CO3 was added
  6. stirringThe mixture was stirred overnight
  7. filtrationthe solution was filtered
  8. customthe solvent was removed in vacuo
  9. customPurification of the residue by SiO2 flash chromatography

출처 및 근거

ORD 기록
ord-6685dc2d147741db8e4b713f6f947ab6
출처 데이터셋
uspto-grants-2006_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07138530B2

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