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Aluminum(III) Chloride → 4-(6-Hydroxyquinazolin-2-yl)benzoic acid

HRID 1472674
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HRID 1472674 반응식
C[O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][CH:12]=1)[N:9]=[C:8]([C:13]1[CH:21]=[CH:20][C:16]([C:17]([OH:19])=[O:18])=[CH:15][CH:14]=1)[N:7]=[CH:6]2.[Al+3].[Cl-].[Cl-].[Cl-]>C(Cl)Cl>[OH:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][CH:12]=1)[N:9]=[C:8]([C:13]1[CH:14]=[CH:15][C:16]([C:17]([OH:19])=[O:18])=[CH:20][CH:21]=1)[N:7]=[CH:6]2
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

4

반응물 2

HCID 6451240Aluminum(III) ChlorideHCID 679742014-(6-Methoxyquinazolin-2-yl)benzoic acid

생성물 1

HCID 574071574-(6-Hydroxyquinazolin-2-yl)benzoic acid수율 13%

시약·촉매·용매 1

HCID 6344Dichloromethane용매

실험 절차

To a suspension of 4-(6-methoxyquinazolin-2-yl)benzoic acid (220 mg, 0.785 mmol) in anhydrous CH2Cl2 (5 mL) was added AlCl3 (600 mg, 4.55 mmol), the reaction mixture was refluxed overnight. The mixture was quenched with sat.NH4Cl (10 mL), the aqueous layer was extracted with CH2Cl2/MeOH (v/v=10/1, 30 mL×3), the combined organic layer was washed with brine (30 mL), dried over Na2SO4, filtered and concentrated to give the crude product, which purified by prep-HPLC (0.1% TFA as additive) to give Compound V-1 (27 mg, yield 13%). 1H NMR (MeOD 400 MHz): δ 9.42 (s, 1H), 8.60 (d, J=8.4 Hz, 2H), 8.17 (d, J=8.4 Hz, 2H), 8.00 (d, J=9.2 Hz, 1H), 7.60 (dd, J=9.2, 2.8 Hz, 1H), 7.30 (d, J=2.8 Hz, 1H). MS (ESI): m/z 266.9 [M+H]+.

후처리

  1. temperaturethe reaction mixture was refluxed overnight
  2. customThe mixture was quenched
  3. extractionNH4Cl (10 mL), the aqueous layer was extracted with CH2Cl2/MeOH (v/v=10/1, 30 mL×3)
  4. washthe combined organic layer was washed with brine (30 mL)
  5. dry with materialdried over Na2SO4
  6. filtrationfiltered
  7. concentrationconcentrated

출처 및 근거

ORD 기록
ord-68e68d21a2424d8fbcc5c8b0cfd1579c
출처 데이터셋
uspto-grants-2015_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09012646B2

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