Pentanenitrile, 4,4-dimethyl-3-oxo- → 4-(5-Amino-3-tert-butyl-1H-pyrazol-1-yl)benzonitrile

HRID 220222

반응식

HRID 220222 반응식
Cl.[NH:2]([C:4]1[CH:11]=[CH:10][C:7]([C:8]#[N:9])=[CH:6][CH:5]=1)[NH2:3].[CH3:12][C:13]([CH3:20])([CH3:19])[C:14](=O)[CH2:15][C:16]#[N:17]>CO>[NH2:17][C:16]1[N:2]([C:4]2[CH:11]=[CH:10][C:7]([C:8]#[N:9])=[CH:6][CH:5]=2)[N:3]=[C:14]([C:13]([CH3:20])([CH3:19])[CH3:12])[CH:15]=1

참가 물질

4

반응물 2

HCID 108871Pentanenitrile, 4,4-dimethyl-3-oxo-HCID 162129624-Cyanophenylhydrazine Hydrochloride

생성물 1

HCID 71470834-(5-Amino-3-tert-butyl-1H-pyrazol-1-yl)benzonitrile수율 82.1%

시약·촉매·용매 1

HCID 887Methanol용매

실험 절차

A flask was charged with 4-hydrazinylbenzonitrile hydrochloride (0.70 g, 3.8 mmol.), 4,4-dimethyl-3-oxopentanenitrile (0.48 g, 3.8 mmol) and MeOH and the reaction was heated at refluxed overnight. The reaction was cooled, and the solids which formed upon cooling were filtered off and discarded. Additional solids formed upon further standing (product) along with product material in solution. The solution containing, the solids was concentrated to yield 0.75 g of solid product (92%). MS M+1 (241).

후처리

  1. temperaturethe reaction was heated
  2. temperatureat refluxed overnight
  3. temperatureThe reaction was cooled
  4. customthe solids which formed
  5. temperatureupon cooling
  6. filtrationwere filtered off
  7. customAdditional solids formed upon further standing (product) along with product material in solution
  8. additionThe solution containing
  9. concentrationthe solids was concentrated

출처 및 근거

ORD 기록
ord-47f23733431e4f64928cf6f1025ffbcb
출처 데이터셋
uspto-grants-2012_06
특허 번호
US08202899B2

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