تفاعل #45768

ord-1171c5d92c7945a39487ce52620c7f22

المذيبات

ظروف التفاعل

درجة الحرارة
125°CELSIUS
الظروف التفصيلية
See reaction.notes.procedure_details.

المعالجة

  1. 1
    درجة الحرارةby heating
  2. 2
    درجة الحرارةAfter cooling to room temperature
  3. 3
    درجة الحرارةby heating
  4. 4
    درجة الحرارةunder reflux in an oil bath at 125° C. for 15 hours
  5. 5
    درجة الحرارةAfter cooling to room temperature
  6. 6
    استخلاصfollowed by extraction with ethyl acetate (50 ml×2)
  7. 7
    غسيلThe organic layer was washed with an aqueous saturated sodium hydrogencarbonate solution (50 ml) and saturated brine (50 ml)
  8. 8
    تجفيفdried over anhydrous sodium sulfate
  9. 9
    تركيزAfter concentration
  10. 10
    أخرىthe resulting residue was purified by silica gel column chromatography (eluent, chloroform:ethyl acetate=100:1→25:1)

الإجراء التجريبي

Ethyl 3-bromopyruvate (72.2 μl, 0.518 mmol) was added to a toluene (10 ml) solution of 4-cyano-7-fluoro-5-methyl-6-phenyl-1,3-benzoxazole-2-carbothioamide (I-196-1) (124 mg, 0.398 mmol), followed by heating under reflux in an oil bath at 125° C. for 2 hours. After cooling to room temperature, p-toluenesulfonic acid monohydrate (15.2 mg, 0.080 mmol) was added to the reaction liquid, followed by heating under reflux in an oil bath at 125° C. for 15 hours. After cooling to room temperature, an aqueous saturated sodium hydrogencarbonate solution (50 ml) and water (50 ml) were added, followed by extraction with ethyl acetate (50 ml×2). The organic layer was washed with an aqueous saturated sodium hydrogencarbonate solution (50 ml) and saturated brine (50 ml), and dried over anhydrous sodium sulfate. After concentration, the resulting residue was purified by silica gel column chromatography (eluent, chloroform:ethyl acetate=100:1→25:1) to obtain the entitled compound (148 mg, 91.2%) as a pale yellow solid.

المصدر

DOI: 10.6084/m9.figshare.5104873.v1براءة الاختراع: US07737166B2uspto-grants-2010_06