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Methanol → 5-(4-Iodophenyl)-3-methyl-1,2,4-oxadiazole

HRID 31408
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HRID 31408 반응식
C(N1C=CN=C1)(N1C=CN=C1)=O.[I:13][C:14]1[CH:22]=[CH:21][C:17]([C:18]([OH:20])=O)=[CH:16][CH:15]=1.O[NH:24][C:25](=[NH:27])[CH3:26].C[O-].[Na+].CO>CN(C)C=O.O.C(OCC)(=O)C>[I:13][C:14]1[CH:15]=[CH:16][C:17]([C:18]2[O:20][N:27]=[C:25]([CH3:26])[N:24]=2)=[CH:21][CH:22]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

9

반응물 5

HCID 887MethanolHCID 120854-Iodobenzoic acidHCID 682631,1'-CarbonyldiimidazoleHCID 10942334Sodium MethoxideHCID 178465666HCID 178465666, 화합물

생성물 1

HCID 197031165-(4-Iodophenyl)-3-methyl-1,2,4-oxadiazole수율 26%

시약·촉매·용매 3

HCID 962
Water
용매
HCID 6228Dimethylformamide용매
HCID 8857Ethyl Acetate용매

실험 절차

1,1′-Carbonyldiimidazole (0.49 g, 3 mmol) was added to a solution of 4-iodobenzoic acid (0.5 g, 2 mmol) in dry dimethylformamide (4 ml) and stirred at room temperature for 30 minutes. N-hydroxy-acetamidine (0.224 g, 3 mmol) was added and stirring at room temperature continued for 16 hours. Sodium methoxide in methanol (25% wt solution; 1.1 ml, 5 mmol) was added and the mixture heated at 80° C. for 6 hours. Once cool, ethyl acetate (50 ml) and water (50 ml) were added. The organic layer was washed with water (50 ml), brine (50 ml), dried over magnesium sulfate, filtered and solvent removed in vacuo. The residue was purified by silica SPE cartridge (5 g) (100% cyclohexane, 20:1 cyclohexane/ethyl acetate v:v to 10:1 cyclohexane/ethyl acetate v:v) to yield the desired product as a white solid (0.15 g, 0.52 mmol).

후처리

  1. stirringstirring at room temperature
  2. waitcontinued for 16 hours
  3. temperaturethe mixture heated at 80° C. for 6 hours
  4. temperatureOnce cool
  5. washThe organic layer was washed with water (50 ml), brine (50 ml)
  6. dry with materialdried over magnesium sulfate
  7. filtrationfiltered
  8. customsolvent removed in vacuo
  9. customThe residue was purified by silica SPE cartridge (5 g) (100% cyclohexane, 20:1 cyclohexane/ethyl acetate v:v to 10:1 cyclohexane/ethyl acetate v:v)

출처 및 근거

ORD 기록
ord-2dc827775f15424f9227b48bef98f4d9
출처 데이터셋
uspto-grants-2008_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07425555B2

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