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4-Methylmorpholine → N-(2,2-dimethyl-[1,3]dioxolan-4-ylmethoxy)-3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-benzamide

HRID 1062291
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HRID 1062291 반응식
[F:1][C:2]1[C:3]([NH:12][C:13]2[CH:18]=[CH:17][C:16]([I:19])=[CH:15][C:14]=2[F:20])=[C:4]([CH:8]=[CH:9][C:10]=1[F:11])[C:5]([OH:7])=O.C1(P(Cl)(C2C=CC=CC=2)=O)C=CC=CC=1.CN1CCOCC1.[CH3:43][C:44]1([CH3:52])[O:48][CH:47]([CH2:49][O:50][NH2:51])[CH2:46][O:45]1>C(OCC)(=O)C.O1CCCC1>[CH3:43][C:44]1([CH3:52])[O:48][CH:47]([CH2:49][O:50][NH:51][C:5](=[O:7])[C:4]2[CH:8]=[CH:9][C:10]([F:11])=[C:2]([F:1])[C:3]=2[NH:12][C:13]2[CH:18]=[CH:17][C:16]([I:19])=[CH:15][C:14]=2[F:20])[CH2:46][O:45]1
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7

반응물 4

HCID 79724-Methylmorpholine2회HCID 73910Diphenylphosphinic chlorideHCID 10240948O-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]hydroxylamineHCID 220256632-(2-Fluoro-4-iodoanilino)-3,4-difluorobenzoic acid

생성물 1

HCID 22061666N-(2,2-dimethyl-[1,3]dioxolan-4-ylmethoxy)-3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-benzamide수율 68.6%

시약·촉매·용매 2

HCID 8028Tetrahydrofuran용매HCID 8857Ethyl Acetate용매

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온도
-15 °C

실험 절차

To a stirring solution of 3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-benzoic acid (4.52 g, 11.5 mmol) in freshly distilled tetrahydrofuran (20 mL) at −15° C. was added diphenylphosphinic chloride (2.85 mL, 14.95 mmol). The resultant reaction mixture was stirred for 30 minutes at −15° C. N-Methylmorpholine (1.26 mL, 11.5 mmol) was added and stirring was continued for 90 minutes at −15° C. The reaction was then charged with O-(2,2-dimethyl-[1,3]dioxolan-4-ylmethyl)-hydroxylamine (2.03 g, 13.8 mmol) and allowed to stir at −15° C. for 30 minutes. N-methylmorpholine (1.9 mL, 17.25 mmol) was added and the reaction was allowed to warm to room temperature. After 17 hours, the mixture was diluted with ethyl acetate and partitioned twice with saturated NaHCO3 solution, then twice with water, and twice with saturated brine solution. Organic layers were collected, dried over sodium sulfate, filtered and concentrated in vacuo. The afforded residue was purified by silica column chromatography in 3:1 hexanes/ethyl acetate. The corresponding fractions were collected, dried in vacuo, and crystallized from ethyl acetate/hexanes affording N-(2,2-dimethyl-[1,3]dioxolan-4-ylmethoxy)-3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-benzamide (4.12 g, 68.6%) as light brown solid: m.p.=114-115° C.; 1NMR (400 MHz, DMSO-d6) δ 11.89 (s, 1H), 8.62 (s, 1H), 7.53-7.55 (m, 1H), 7.31-7.37 (m, 2H), 7.17 (dd, 1H, J=16.9, 9.3), 6.60-6.65 (m, 1H), 4.22 (t, 1H, J=6.1), 3.96 (t, 1H, J=8.3), 3.76-3.77 (m, 2H), 3.63 (t, 1H, J=4.9), 1.26 (s, 3H), 1.21 (s, 3H); MS(APCI+)=522.9; Anal.calcd/found for C19H18F3IN2O4: C, 43.70/43.88; H, 3.47/3.43; N, 5.36/5.20; F, 10.91/10.87.

후처리

  1. customThe resultant reaction mixture
  2. stirringstirring
  3. waitwas continued for 90 minutes at −15° C
  4. stirringto stir at −15° C. for 30 minutes
  5. temperatureto warm to room temperature
  6. waitAfter 17 hours
  7. custompartitioned twice with saturated NaHCO3 solution
  8. customOrganic layers were collected
  9. dry with materialdried over sodium sulfate
  10. filtrationfiltered
  11. concentrationconcentrated in vacuo
  12. customThe afforded residue was purified by silica column chromatography in 3:1 hexanes/ethyl acetate
  13. customThe corresponding fractions were collected
  14. customdried in vacuo
  15. customcrystallized from ethyl acetate/hexanes

출처 및 근거

ORD 기록
ord-dc263565e67047ceab0de4094ed2331d
출처 데이터셋
uspto-grants-2005_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06960614B2

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