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Dimethylformamide → 5-Chloro-3-ethyl-1-methyl-1h-pyrazole-4-carbaldehyde

HRID 2387141
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HRID 2387141 반응식
O=P(Cl)(Cl)[Cl:3].C[N:7]([CH:9]=O)[CH3:8].[CH2:11]([C:13]1[CH:17]=[C:16]([OH:18])N(C)[N:14]=1)[CH3:12].C([O-])([O-])=O.[K+].[K+]>ClCCl>[Cl:3][C:9]1[N:7]([CH3:8])[N:14]=[C:13]([CH2:11][CH3:12])[C:17]=1[CH:16]=[O:18]
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참가 물질

6

반응물 4

HCID 6228DimethylformamideHCID 11430Potassium CarbonateHCID 24813Phosphorus oxychlorideHCID 178436950HCID 178436950, 화합물

생성물 1

HCID 27575085-Chloro-3-ethyl-1-methyl-1h-pyrazole-4-carbaldehyde수율 62%

시약·촉매·용매 1

HCID 6344Dichloromethane
용매

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온도
0 °C

실험 절차

POCl3 (236.88 g, 1.543 mol, 144 mL) was added dropwise at 0° C. to DMF (59 g, 0.808 mol). The reaction mixture was then diluted with dichloromethane (200 mL), and: 3-ethyl-1-methyl-1H-pyrazol-5-ol (84.5 g, from Step 1) was added while stirring at 0° C. The mixture was refluxed for 3 h and then stirred overnight at room temperature. After this, ice-cold water (500 mL) was added rapidly at 0° C. to the reaction mixture in order to decompose the formylation agent. The organic layer was separated, and the aqueous phase extracted with chloroform several times. The organic layers were then washed with K2CO3 solution to obtain a weak alkaline media, dried over Na2SO4 and evaporated to give 51.2 g of an oily substance. The residual reaction mass was neutralized with K2CO3 to obtain a weak acidic media and extracted with chloroform. The combined extracts were concentrated and the residue purified by chromatography (dichloromethane) on a silica gel to give 71.3 g (62%) of the title product.

후처리

  1. temperatureThe mixture was refluxed for 3 h
  2. stirringstirred overnight at room temperature
  3. customThe organic layer was separated
  4. extractionthe aqueous phase extracted with chloroform several times
  5. washThe organic layers were then washed with K2CO3 solution
  6. customto obtain a weak alkaline media
  7. dry with materialdried over Na2SO4
  8. customevaporated
  9. customto give 51.2 g of an oily substance
  10. customto obtain a weak acidic media
  11. extractionextracted with chloroform
  12. concentrationThe combined extracts were concentrated
  13. customthe residue purified by chromatography (dichloromethane) on a silica gel

출처 및 근거

ORD 기록
ord-1c63f6e2cba2446887b74ec33742be1f
출처 데이터셋
uspto-grants-2012_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08268835B2

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