반응 #1005979

ord-854d79fc3dd14bf5bcdb54a5630fa41b

반응 방정식

CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(OS(=O)(=O)C(F)(F)F)=CC(C)(C)S3)cc1
ethyl 4-(2,2-dimethyl-4-trifluoromethanesulfonyloxy-(2H)-thio-chromen-6-ylethynyl)-benzoate
[Li][C](C)(C)C
tert-butyllithium
CCc1ccc(Br)cc1
4-ethylbromobenzene
CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(c2ccc(CC)cc2)=CC(C)(C)S3)cc1
Ethyl 4-[[4-(4-ethylphenyl)-2,2-dimethyl-(2H)-thiochromen-6-yl]-ethynyl]-benzoate

반응 조건

상세 조건
See reaction.notes.procedure_details.

후처리

  1. 1
    기타to give a yellow solution
  2. 2
    온도This solution was heated to 50° C. for 1 hour
  3. 3
    온도cooled to room temperature
  4. 4
    기타the reaction quenched by the addition of saturated aqueous NH4Cl
  5. 5
    추출The solution was extracted with EtOAc
  6. 6
    세척the combined organic layers were washed with H2O and saturated aqueous NaCl
  7. 7
    건조before being dried (MgSO4)
  8. 8
    농축concentrated under reduced pressure

실험 절차

A solution of 4-ethylbromobenzene (670.9 mg, 3.63 mmol) in 4.0 mL of THF was cooled to −78° C.; and tert-butyllithium (464.5 mg, 7.25 mmol, 4.26 mL of a 1.7M solution in pentane) was added to give a yellow solution. After 30 minutes a solution of ZnCl2 (658.7 mg, 4.83 mmol) in 8.0 mL THF was slowly added via cannula. The resulting solution was warmed to room temperature and transferred via cannula to a solution of ethyl 4-(2,2-dimethyl-4-trifluoromethanesulfonyloxy-(2H)-thio-chromen-6-ylethynyl)-benzoate (1.20 g, 2.42 mmol) and tetrakis(triphenylphosphine)palladium(0) (111.7 mg, 0.097 mmol) in 8.0 mL THF. This solution was heated to 50° C. for 1 hour, cooled to room temperature, and the reaction quenched by the addition of saturated aqueous NH4Cl. The solution was extracted with EtOAc and the combined organic layers were washed with H2O and saturated aqueous NaCl before being dried (MgSO4) and concentrated under reduced pressure. Ethyl 4-[[4-(4-ethylphenyl)-2,2-dimethyl-(2H)-thiochromen-6-yl]-ethynyl]-benzoate was isolated by column chromatography (5% EtOAc/hexanes) as a colorless oil.

출처

DOI: 10.6084/m9.figshare.5104873.v1특허: US09271946B2uspto-grants-2016_03