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Dimethylformamide → 4,5,6-trichloro-1H-benzoimidazole

HRID 408761
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HRID 408761 반응식
[Cl:1][C:2]1[C:7]([Cl:8])=[C:6]([Cl:9])[CH:5]=[C:4]([N+:10]([O-])=O)[C:3]=1[NH2:13].S(S([O-])=O)([O-])=O.[Na+].[Na+].[CH:22](OC)(OC)OC.CN(C=O)C>C(O)(=O)C>[Cl:1][C:2]1[C:3]2[N:13]=[CH:22][NH:10][C:4]=2[CH:5]=[C:6]([Cl:9])[C:7]=1[Cl:8]
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 6228DimethylformamideHCID 9005Trimethyl orthoformateHCID 24489Sodium DithioniteHCID 107052972,3,4-Trichloro-6-nitrobenzenamine

생성물 1

HCID 3445854,5,6-trichloro-1H-benzoimidazole수율 43%

시약·촉매·용매 1

HCID 176Acetic Acid
용매

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온도
100 °C

실험 절차

A mixture of 2,3,4-trichloro-6-nitro-phenylamine (0.250 g, 1.04 mmol), sodium dithionite (0.907 g, 5.21 mmol), trimethyl orthoformate (4 ml), DMF (4 mL), and acetic acid (0.5 mL) was heated in a sealed tube for 15 h at 100° C. The reaction mixture was cooled to 23° C. and partitioned between EtOAc and saturated aqueous NaHCO3. The organic layer was collected and the aqueous layer was extracted with EtOAc. The combined organic layers were dried (MgSO4), filtered, and concentrated to yield the titled compound (0.098 g, 43%). MS (ESI/CI): mass calcd. for C7H3Cl3N2, 219.9; m/z found, 221.0 [M+H]+. 1H NMR (400 MHz, DMSO-d6): 13.16 (s, 1H), 8.43 (s, 1H), 7.90 (s, 1H).

후처리

  1. temperatureThe reaction mixture was cooled to 23° C.
  2. custompartitioned between EtOAc and saturated aqueous NaHCO3
  3. customThe organic layer was collected
  4. extractionthe aqueous layer was extracted with EtOAc
  5. dry with materialThe combined organic layers were dried (MgSO4)
  6. filtrationfiltered
  7. concentrationconcentrated

출처 및 근거

ORD 기록
ord-e22a0e5268bc4a4488ba8c057f649143
출처 데이터셋
uspto-grants-2014_06
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08759345B2

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