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Trifluoroacetic acid → 8-(2-methoxy-4-(trifluoromethyl)phenyl)-N-(pyrimidin-4-yl)-1,7-naphthyridine-3-sulfonamide

HRID 1473495
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HRID 1473495 반응식
COC1C=CC(C[NH:8][C:9]2[CH:14]=[CH:13][N:12]=[CH:11][N:10]=2)=CC=1.C[Si]([N-][Si](C)(C)C)(C)C.[Li+].[CH3:27][O:28][C:29]1[CH:34]=[C:33]([C:35]([F:38])([F:37])[F:36])[CH:32]=[CH:31][C:30]=1[C:39]1[N:40]=[CH:41][CH:42]=[C:43]2[C:48]=1[N:47]=[CH:46][C:45]([S:49](OC1C(F)=C(F)C(F)=C(F)C=1F)(=[O:51])=[O:50])=[CH:44]2.C(O)(C(F)(F)F)=O>C1COCC1.C(O)(=O)C.C(Cl)Cl.CO.O>[CH3:27][O:28][C:29]1[CH:34]=[C:33]([C:35]([F:38])([F:37])[F:36])[CH:32]=[CH:31][C:30]=1[C:39]1[N:40]=[CH:41][CH:42]=[C:43]2[C:48]=1[N:47]=[CH:46][C:45]([S:49]([NH:8][C:9]1[CH:14]=[CH:13][N:12]=[CH:11][N:10]=1)(=[O:51])=[O:50])=[CH:44]2
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참가 물질

9

반응물 4

HCID 6422Trifluoroacetic acidHCID 2733832Lithium HexamethyldisilazideHCID 13230138N-(4-methoxybenzyl)pyrimidin-4-amineHCID 86687549Perfluorophenyl 8-(2-methoxy-4-(trifluoromethyl)phenyl)-1,7-naphthyridine-3-sulfonate

생성물 1

HCID 866875508-(2-methoxy-4-(trifluoromethyl)phenyl)-N-(pyrimidin-4-yl)-1,7-naphthyridine-3-sulfonamide수율 5,118.1%

시약·촉매·용매 4

HCID 176Acetic Acid촉매HCID 6344Dichloromethane용매HCID 8028Tetrahydrofuran용매3회HCID 22242641Methanol--water (1/1)용매

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온도
0 °C

실험 절차

To a vial charged with N-(4-methoxybenzyl)pyrimidin-4-amine (Intermediate OO; 28.7 mg, 0.134 mmol) was added THF (509 μl) and the resulting clear solution cooled in an ice water bath prior to the drop wise addition of lithium bis(trimethylsilyl)amide, 1.0M solution in tetrahydrofuran (26.0 μl, 0.134 mmol). The mixture was stirred for 20 min at 0° C. prior to the addition, faster than drop wise, of a solution of perfluorophenyl 8-(2-methoxy-4-(trifluoromethyl)phenyl)-1,7-naphthyridine-3-sulfonate (see EXAMPLE 322, STEP 3) (70 mg, 0.127 mmol) in THF (0.5 ml, 0.1 ml rinse). The resulting mixture was allowed to stir and warm slowly to room temp (ice melt) for 1 hr. To the mixture was added acetic acid (about 10 drops) and the resulting solution dried under reduced pressure. The crude residue was purified with a 25 g HP Silicycle column (SiliCycle, Inc. Quebec City, Canada) (0-100% EtOAc in heptane). The crude oil obtained (52 mg) was dissolved in DCM (3 ml) and TFA (0.5 ml) was added and the mixture stirred overnight at room temperature. The material was purified with a 25 g HP spherical silica column (15 μm spherical, Interchim, Mouintlucon, France) ramping DCM:MeOH (90:10) in DCM (0 to 50%) providing product, obtained as a film which was lyophilized from MeOH/H2O to afford 8-(2-methoxy-4-(trifluoromethyl)phenyl)-N-(pyrimidin-4-yl)-1,7-naphthyridine-3-sulfonamide (3 mg, 6.50 mmol, 5.11% yield) as a white powder. 1H NMR (500 MHz, DMSO-d6) δ ppm 3.69 (s, 3H) 6.77 (d, J=6.41 Hz, 1H) 7.39-7.47 (m, 2H) 7.54 (d, J=7.91 Hz, 1H) 8.08 (d, J=6.30 Hz, 1H) 8.16 (d, J=5.56 Hz, 1H) 8.44 (s, 1H) 8.75 (d, J=5.56 Hz, 1H) 8.97 (s, 1H) 9.23 (d, J=1.82 Hz, 1H). m/z (ESI) 462.2 (M+H)+.

후처리

  1. temperaturethe resulting clear solution cooled in an ice water bath
  2. additionto the addition
  3. stirringto stir
  4. temperaturewarm slowly to room temp (ice melt) for 1 hr
  5. customthe resulting solution dried under reduced pressure
  6. customThe crude residue was purified with a 25 g HP Silicycle column (SiliCycle, Inc. Quebec City, Canada) (0-100% EtOAc in heptane)
  7. customThe crude oil obtained (52 mg)
  8. stirringthe mixture stirred overnight at room temperature
  9. customThe material was purified with a 25 g HP spherical silica column (15 μm spherical, Interchim, Mouintlucon, France) ramping DCM:MeOH (90:10) in DCM (0 to 50%)
  10. customproviding product
  11. customobtained as a film which

출처 및 근거

ORD 기록
ord-63d453856924443aa7261d836000ad7e
출처 데이터셋
uspto-grants-2015_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09012443B2

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