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4-Nitroanthranilic acid → 2-(2,6-Difluoro-phenyl)-7-nitro-benzo[d][1,3]oxazin-4-one

HRID 567678
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HRID 567678 반응식
[N+:1]([C:4]1[CH:5]=[C:6]([NH2:13])[C:7](=[CH:11][CH:12]=1)[C:8]([OH:10])=[O:9])([O-:3])=[O:2].[F:14][C:15]1[CH:23]=[CH:22][CH:21]=[C:20]([F:24])[C:16]=1[C:17](Cl)=O.C(N(CC)CC)C.C1(C)C=CC=CC=1.C(NC1C=CC2N=C(C3C(F)=CC=CC=3F)OC(=O)C=2C=1)(=O)C>C1COCC1>[F:14][C:15]1[CH:23]=[CH:22][CH:21]=[C:20]([F:24])[C:16]=1[C:17]1[O:9][C:8](=[O:10])[C:7]2[CH:11]=[CH:12][C:4]([N+:1]([O-:3])=[O:2])=[CH:5][C:6]=2[N:13]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 120764-Nitroanthranilic acidHCID 874382,6-Difluorobenzoyl chlorideHCID 99488136-Acetamido-(2,6-difluoro-phenyl)-benzo[d][1,3]oxazin-4-oneHCID 22504574Toluene triethylamine

생성물 1

HCID 104477332-(2,6-Difluoro-phenyl)-7-nitro-benzo[d][1,3]oxazin-4-one

시약·촉매·용매 1

HCID 8028
Tetrahydrofuran
용매

실험 절차

4-Nitroanthranilic acid (0.6 g), 2,6-difluorobenzoyl chloride (0.93 mL) and triethyl amine/toluene (1/1) (18 mL) were reacted as described under (10). reaction time 2 days. Extraction between ethyl acetate (100 mL) and HCl (2N, 100 mL), followed by separation of the organic layer, drylng over MgSO4, filtering and evaporation gave a crude product which was dissolved in warm THF (20 mL) and precipitated with hexane twice to get the pure product 2-(2,6-difluoro-phenyl)-7-nitro-benzo[d][1,3]oxazin-4-one (0.417 g), mp. 187 C, MS m/e: 304 M+.

후처리

  1. customreaction time 2 days
  2. extractionExtraction between ethyl acetate (100 mL) and HCl (2N, 100 mL)
  3. customfollowed by separation of the organic layer
  4. filtrationfiltering
  5. customevaporation
  6. customgave a crude product which
  7. customprecipitated with hexane twice

출처 및 근거

ORD 기록
ord-ce17f9d856284bcd8eb7ba6a75536540
출처 데이터셋
uspto-grants-2001_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06180625B2

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