反应 #1138

ord-9501c188203f4630b6447cbfdf010c16

反应方程式

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
收率 76.4%

反应条件

温度
25°CELSIUS
详细条件
See reaction.notes.procedure_details.

后处理

  1. 1
    温度the reaction flask was heated at 80° C. for 18 h
  2. 2
    过滤this was filtered through celite
  3. 3
    其他The organic phase was separated
  4. 4
    萃取the aqueous layer extracted with ethyl acetate (3×20 mL)
  5. 5
    洗涤the combined ethyl acetate extracts were washed with brine (20 mL)
  6. 6
    干燥dried (MgSO4)
  7. 7
    浓缩concentrated in vacuo
  8. 8
    其他The crude product was purified by silica gel column chromatography with ethyl acetate:hexane (1:3 to 1:1) as eluants

实验过程

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).

来源

DOI: 10.6084/m9.figshare.5104873.v1专利: US05723477uspto-grants-1998_03