تفاعل #10301

ord-1c558c163b0846259c1e384d3e1982e0

معادلة التفاعل

Cl.O=S(=O)(CC1CNC1)c1ccc(F)cc1
3-{[(4-fluorophenyl)sulfonyl]methyl}azetidine hydrochloride
O=C([O-])[O-].[K+].[K+]
potassium carbonate
[I-].[Na+]
sodium iodide
O=C(CCCCl)c1ccc(F)cc1
4-chloro-1-(4-fluorophenyl)butan-1-one
Cl
HCl
Cl.O=C(CCCN1CC(CS(=O)(=O)c2ccc(F)cc2)C1)c1ccc(F)cc1
1-(4-fluorophenyl)-4-(3-{[(4-fluorophenyl)sulfonyl]methyl}azetidin-1-yl)butan-1-one hydrochloride
المردود 6.6%

ظروف التفاعل

الظروف التفصيلية
See reaction.notes.procedure_details.

المعالجة

  1. 1
    درجة الحرارةwas heated
  2. 2
    درجة الحرارةat reflux for 5 h under an inert atmosphere
  3. 3
    أخرىThe cooled reaction mixture
  4. 4
    أخرىwas partitioned between EtOAc and water
  5. 5
    غسيلThe EtOAc extracts were washed with water and saturated brine
  6. 6
    تجفيفthen dried (MgSO4)
  7. 7
    ترشيحfiltered
  8. 8
    تركيزconcentrated in vacuo
  9. 9
    أخرىThe resultant material was purified by column chromatography on silica
  10. 10
    غسيلeluted with a gradient of 0–15% MeOH-EtOAc
  11. 11
    أخرىto give the free base
  12. 12
    أخرىThe solvents was removed in vacuo

الإجراء التجريبي

A stirred mixture of 3-{[(4-fluorophenyl)sulfonyl]methyl}azetidine hydrochloride (150 mg, 0.56 mmol), 2-butanone (5 mL), potassium carbonate (0.25 g, 1.81 mmol), sodium iodide (20 mg, 0.13 mmol) and 4-chloro-1-(4-fluorophenyl)butan-1-one (115 μL, 0.68 mmol) was heated at reflux for 5 h under an inert atmosphere. The cooled reaction mixture was partitioned between EtOAc and water. The EtOAc extracts were washed with water and saturated brine then dried (MgSO4), filtered and concentrated in vacuo. The resultant material was purified by column chromatography on silica eluted with a gradient of 0–15% MeOH-EtOAc to give the free base. This was dissolved in EtOAc and treated with 1M HCl in diethyl ether. The solvents was removed in vacuo to give 1-(4-fluorophenyl)-4-(3-{[(4-fluorophenyl)sulfonyl]methyl}azetidin-1-yl)butan-1-one hydrochloride as a white solid (16 mg). 1H NMR (400 MHz, CD3OD) δ 1.90–1.99 (2H, m), 3.17 (2H, t, J=6.6 Hz), 3.25–3.35 (3H, m), 3.68 (2H, d, J=7.3 Hz), 4.0–4.2 (2H, br s), 4.2–4.4 (2H, br s), 7.20–7.27 (2H, m), 7.39–7.46 (2H, m), 7.98–8.04 (2H, m), 8.05–8.10 (2H, m). m/z (ES+) 394 (M+H)+.

المصدر

DOI: 10.6084/m9.figshare.5104873.v1براءة الاختراع: US07094777B2uspto-grants-2006_08