반응 #434625

ord-cb595adce3014ef98ebdd70ad2f7280e

반응 방정식

CC(=O)O
Acetic acid
N#Cc1cnc2cc(F)cc(OC3CCOCC3)c2c1O
3-cyano-7-fluoro-4-hydroxy-5-(tetrahydro-2H-pyran-4-yloxy)quinoline
OCCCN1CCOCC1
3-morpholin-4-ylpropan-1-ol
CC(C)(C)[O-].[K+]
potassium tert-butoxide
N#Cc1cnc2cc(OCCCN3CCOCC3)cc(OC3CCOCC3)c2c1O
title compound
수율 44.0%
N#Cc1cnc2cc(OCCCN3CCOCC3)cc(OC3CCOCC3)c2c1O
3-cyano-4-hydroxy-7-(3-morpholin-4-ylpropoxy)-5-(tetrahydro-2H-pyran-4-yloxy)quinoline
수율 44.0%

반응 조건

온도
60°CELSIUS
상세 조건
See reaction.notes.procedure_details.

후처리

  1. 1
    온도The solution was cooled
  2. 2
    세척washed on with water
  3. 3
    기타The column was flushed successively with water (200 ml), methanol/water (1:1; 200 ml) and methanol (200 ml)
  4. 4
    세척The product was eluted off the column with methanol
  5. 5
    workup.ADDITIONcontaining triethylamine (1%)
  6. 6
    workup.ADDITIONThe fractions containing the product
  7. 7
    기타evaporated
  8. 8
    기타The residue was further purified by chromatography on a Redisep silica cartridge (40 g)
  9. 9
    세척eluting with a gradient of methanol in dichloromethane (5–20%)

실험 절차

A mixture of 3-cyano-7-fluoro-4-hydroxy-5-(tetrahydro-2H-pyran-4-yloxy)quinoline (864 mg), 3-morpholin-4-ylpropan-1-ol (876 mg) and potassium tert-butoxide (1.0M solution in tetrahydrofuran; 9.0 ml) in anhydrous dimethyl sulphoxide (30 ml) was heated at 60° C. for 8 hours. The solution was cooled and then diluted with water (120 ml). Acetic acid was added until pH5 was reached. The solution was pumped onto a cation exchange cartridge (Waters Oasis MCX 6.0 g) and washed on with water. The column was flushed successively with water (200 ml), methanol/water (1:1; 200 ml) and methanol (200 ml). The product was eluted off the column with methanol containing triethylamine (1%). The fractions containing the product were combined and evaporated. The residue was further purified by chromatography on a Redisep silica cartridge (40 g) eluting with a gradient of methanol in dichloromethane (5–20%). This gave the title compound as an white solid (540 mg, 44%); NMR spectrum: (DMSOd6; 373° K) 1.73 (m, 2H), 1.91 (m, 4H), 2.39 (m, 4H), 2.45 (t, 2H), 3.49 (m, 2H), 3.58 (m, 4H), 3.95 (m, 2H), 4.10 (t, 2H), 4.64 (m, 1H), 6.46 (d, 1H), 6.60 (d, 1H), 8.24 (s, 1H); Mass spectrum: M+H+ 414.

출처

DOI: 10.6084/m9.figshare.5104873.v1특허: US07173135B2uspto-grants-2007_02