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Ethanol → 2-Chloro-6-methyl-5-nitronicotinonitrile

HRID 2407834
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O[C:2]1[N:9]=[C:8]([CH3:10])[C:7]([N+:11]([O-:13])=[O:12])=[CH:6][C:3]=1[C:4]#[N:5].P(Cl)(Cl)(Cl)(Cl)[Cl:15].C(O)C>P(Cl)(Cl)(Cl)=O>[Cl:15][C:2]1[N:9]=[C:8]([CH3:10])[C:7]([N+:11]([O-:13])=[O:12])=[CH:6][C:3]=1[C:4]#[N:5]
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참가 물질

5

반응물 3

HCID 702EthanolHCID 24819Phosphorus pentachlorideHCID 178433464HCID 178433464, 화합물

생성물 1

HCID 132403822-Chloro-6-methyl-5-nitronicotinonitrile수율 37.9%

시약·촉매·용매 1

HCID 24813Phosphorus oxychloride용매

실험 절차

A suspension of the compound prepared in Example 442 (5.00 g) and phosphorus pentachloride (6.97 g) in phosphorus oxychloride (25 mL) was stirred and heated in an oil bath set to 110° C. for 30 minutes. The resulting solution was cooled to ambient temperature and concentrated. The residual liquid was cooled in an ice bath, whereupon a solid formed. This solid was carefully treated with 50% aqueous ethanol (10 mL), and then the mixture was stirred and heated in the 110° C. oil bath for 5 minutes. This redissolved the solid, and then the flask was again placed in the ice bath. The solid reappeared on cooling, and it was collected by filtration, washed with water, and air-dried. The solid was then recrystallized by stirring it with methanol (20 mL), and heating to boiling until all solid dissolved. On cooling to ambient temperature crystallization began, and the mixture was stored in the refrigerator overnight. The crystals were collected by filtration, washed with cold methanol, and dried under vacuum to provide the title compound (2.09 g) with the following physical data.

후처리

  1. temperatureheated in an oil bath
  2. concentrationconcentrated
  3. temperatureThe residual liquid was cooled in an ice bath, whereupon a solid
  4. customformed
  5. stirringthe mixture was stirred
  6. temperatureheated in the 110° C. oil bath for 5 minutes
  7. dissolutionThis redissolved the solid
  8. temperatureon cooling
  9. filtrationit was collected by filtration
  10. washwashed with water
  11. customair-dried
  12. customThe solid was then recrystallized
  13. stirringby stirring it with methanol (20 mL)
  14. temperatureheating
  15. dissolutiondissolved
  16. temperatureOn cooling to ambient temperature
  17. customcrystallization
  18. customwas stored in the refrigerator overnight
  19. filtrationThe crystals were collected by filtration
  20. washwashed with cold methanol
  21. customdried under vacuum

출처 및 근거

ORD 기록
ord-18aa4efe2ae64d1d881eedb291115d5d
출처 데이터셋
uspto-grants-2014_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08809538B2

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