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Potassium Phosphate, Tribasic → HCID 86721254, 화합물

HRID 1750409
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HRID 1750409 반응식
Br[C:2]1[N:6]([C:7]([CH3:10])([CH3:9])[CH3:8])[N:5]=[CH:4][C:3]=1[C:11]([NH2:13])=[O:12].[CH3:14][O:15][C:16]1[CH:21]=[CH:20][C:19](/[CH:22]=[CH:23]/B(O)O)=[CH:18][CH:17]=1.COC1C=CC=C(OC)C=1C1C=CC=CC=1P(C1CCCCC1)C1CCCCC1.P([O-])([O-])([O-])=O.[K+].[K+].[K+]>C1COCC1.C([O-])(=O)C.[Pd+2].C([O-])(=O)C.O>[C:7]([N:6]1[C:2](/[CH:23]=[CH:22]/[C:19]2[CH:20]=[CH:21][C:16]([O:15][CH3:14])=[CH:17][CH:18]=2)=[C:3]([C:11]([NH2:13])=[O:12])[CH:4]=[N:5]1)([CH3:10])([CH3:9])[CH3:8]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

8

반응물 4

HCID 62657Potassium Phosphate, TribasicHCID 642693trans-2-(4-Methoxyphenyl)vinylboronic acidHCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenylHCID 86721240HCID 86721240, 화합물

생성물 1

HCID 86721254HCID 86721254, 화합물수율 16.4%

시약·촉매·용매 3

HCID 167845
palladium(II) acetate
촉매
HCID 962Water용매
HCID 8028Tetrahydrofuran용매

실험 절차

A solution of 5-bromo-1-tert-butyl-1H-pyrazole-4-carboxamide (100 mg, 0.41 mmol), trans-2-(4-methoxyphenyl)vinylboronic acid (108 mg, 0.61 mmol), S-phos (3.34 mg, 8.13 μmol), palladium(II) acetate (0.912 mg, 4.06 μmol) and tripotassium phosphate (173 mg, 0.81 mmol) in THF (2 mL) was stirred under an argon atmosphere at 40° C. for 14 hr. Water was added to the reaction solution, and the mixture was extracted with ethyl acetate. The organic layer was washed with saturated brine and dried, and the solvent was evaporated under reduced pressure. The residue was purified by silica gel column chromatography (solvent gradient; 3→100% ethyl acetate/hexane) to give (E)-1-tert-butyl-5-(4-methoxystyryl)-1H-pyrazole-4-carboxamide (20 mg, 0.067 mmol, 16.4%) as a white powder.

후처리

  1. extractionthe mixture was extracted with ethyl acetate
  2. washThe organic layer was washed with saturated brine
  3. customdried
  4. customthe solvent was evaporated under reduced pressure
  5. customThe residue was purified by silica gel column chromatography (solvent gradient; 3→100% ethyl acetate/hexane)

출처 및 근거

ORD 기록
ord-324c950f3e854dfa977fb0e20a2558e9
출처 데이터셋
uspto-grants-2015_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09156837B2

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