تفاعل #1138

ord-9501c188203f4630b6447cbfdf010c16

معادلة التفاعل

CC(C)(C)OC(=O)N1CCCC1c1cncc(Br)c1
5-bromo-3-(1-tert-butyloxycarbonyl-2-pyrrolidinyl)pyridine
c1ccc(P(c2ccccc2)c2ccccc2)cc1
triphenylphosphine
O=C([O-])[O-].[K+].[K+]
potassium carbonate
C#CC(C)(C)O
2-methyl-3-butyn-2-ol
C#CC(C)(O)Cc1cncc(C2CCCN2C(=O)OC(C)(C)C)c1
5-(2-hydroxy-2-methyl-3-butynyl)-3-(1-tert-butyloxycarbonyl-2-pyrrolidinyl)pyridine
المردود 76.4%

ظروف التفاعل

درجة الحرارة
25°CELSIUS
الظروف التفصيلية
See reaction.notes.procedure_details.

المعالجة

  1. 1
    درجة الحرارةthe reaction flask was heated at 80° C. for 18 h
  2. 2
    ترشيحthis was filtered through celite
  3. 3
    أخرىThe organic phase was separated
  4. 4
    استخلاصthe aqueous layer extracted with ethyl acetate (3×20 mL)
  5. 5
    غسيلthe combined ethyl acetate extracts were washed with brine (20 mL)
  6. 6
    تجفيفdried (MgSO4)
  7. 7
    تركيزconcentrated in vacuo
  8. 8
    أخرىThe crude product was purified by silica gel column chromatography with ethyl acetate:hexane (1:3 to 1:1) as eluants

الإجراء التجريبي

A mixture of 5-bromo-3-(1-tert-butyloxycarbonyl-2-pyrrolidinyl)pyridine (1 g, 3.06 mmol), 10% palladium on charcoal (80 mg, 0.077 mmol), copper(I)iodide (58 mg, 0.30 mmol), triphenylphosphine (80 mg, 0.30 mmol) and potassium carbonate (1.06 g, 7.65 mmol) in DME (5 mL) and water (5 mL) was stirred at 25° C. After 0.75 h 2-methyl-3-butyn-2-ol (0.74 mL, 7.65 mmol) was added and the reaction flask was heated at 80° C. for 18 h. Water (30 mL) and ethyl acetate (30 mL) were added to the cooled mixture and this was filtered through celite. The organic phase was separated and the aqueous layer extracted with ethyl acetate (3×20 mL) and the combined ethyl acetate extracts were washed with brine (20 mL), dried (MgSO4) and concentrated in vacuo. The crude product was purified by silica gel column chromatography with ethyl acetate:hexane (1:3 to 1:1) as eluants to afford 5-(2-hydroxy-2-methyl-3-butynyl)-3-(1-tert-butyloxycarbonyl-2-pyrrolidinyl)pyridine as an oil (772 mg, 76%). LRMS (EI) m/e 231 (M+ +H --CO2 and isobutylene), 230 (M+ --CO2 and isobutylene), 229 (M+ --CO2 tBu); 1H NMR (CDCl3, 300 MHz): δ 8.56 (b-s, 1H), 8.37 (b-d, J=1.5 Hz, 1H), 7.53 (m, 1H), 4.93 (b-m, 0.5H), 4.76 (b-m, 0.5H), 3.5-3.7 (b-m, 2H), 2.36 (m, 1H), 1.75-2.0 (b-m, 3H), 1.72 (b-s, 1H), 1.63 (s, 6H), 1.45 (b-s, 3H), 1.21 (b-s, 6H).

المصدر

DOI: 10.6084/m9.figshare.5104873.v1براءة الاختراع: US05723477uspto-grants-1998_03