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4-(2-Chlorooxazol-5-yl)benzonitrile → HCID 178509592, 화합물

HRID 537866
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HRID 537866 반응식
Cl[C:2]1[O:3][C:4]([C:7]2[CH:14]=[CH:13][C:10]([C:11]#[N:12])=[CH:9][CH:8]=2)=[CH:5][N:6]=1.[NH:15]1[C:19]([C:20]2[CH:21]=[C:22]([CH:24]=[CH:25][CH:26]=2)[NH2:23])=[N:18][N:17]=[N:16]1>CC(O)C>[NH:18]1[C:19]([C:20]2[CH:21]=[C:22]([NH:23][C:2]3[O:3][C:4]([C:7]4[CH:14]=[CH:13][C:10]([C:11]#[N:12])=[CH:9][CH:8]=4)=[CH:5][N:6]=3)[CH:24]=[CH:25][CH:26]=2)=[N:15][N:16]=[N:17]1
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

4

반응물 2

HCID 684435584-(2-Chlorooxazol-5-yl)benzonitrileHCID 178507542HCID 178507542, 화합물

생성물 1

HCID 178509592HCID 178509592, 화합물수율 100.6%

시약·촉매·용매 1

HCID 3776Isopropanol용매

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온도
80 °C

실험 절차

A mixture of 4-(2-chlorooxazol-5-yl)benzonitrile 2 (0.216 g, 1.05 mmol) and commercially available 3-(1H-tetrazol-5-yl)aniline 35 (0.17 g, 1.05 mmol) in 2-propanol (20 mL) was heated to 80° C. for 18 h with stirring. Upon cooling, a white solid precipitated out which was filtered off, washed with 2-propanol, and dried. This was further purified by dissolving into DMSO and re-precipitated with addition of water. Resulting solid was filtered, washed with water, methanol and dried under high vacuum to yield 4-(2-((3-(1H-tetrazol-5-yl)phenyl)amino)oxazol-5-yl)benzonitrile 36 as a white solid (0.348 g, 100%). MS (ES) m/z 330 (M+H+).

후처리

  1. temperatureUpon cooling
  2. customa white solid precipitated out which
  3. filtrationwas filtered off
  4. washwashed with 2-propanol
  5. customdried
  6. customThis was further purified
  7. dissolutionby dissolving into DMSO
  8. customre-precipitated with addition of water
  9. customResulting solid
  10. filtrationwas filtered
  11. washwashed with water, methanol
  12. customdried under high vacuum

출처 및 근거

ORD 기록
ord-1c09c89417e34647ab4c1efe2db7dede
출처 데이터셋
uspto-grants-2014_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08865709B2

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