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Trifluoroacetic acid → 3-(3-Amino-6-(4-(isopropylsulfonyl)phenyl)pyrazin-2-yl)-1-phenylprop-2-yn-1-one

HRID 78292
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HRID 78292 반응식
C(OC([N:8]([C:16]1[C:21]([C:22]#[CH:23])=[N:20][C:19]([C:24]2[CH:29]=[CH:28][C:27]([S:30]([CH:33]([CH3:35])[CH3:34])(=[O:32])=[O:31])=[CH:26][CH:25]=2)=[CH:18][N:17]=1)C(=O)OC(C)(C)C)=O)(C)(C)C.[C:36](Cl)(=[O:43])[C:37]1[CH:42]=[CH:41][CH:40]=[CH:39][CH:38]=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C(O)(C(F)(F)F)=O>C1COCC1.C(Cl)Cl.Cl[Pd]Cl.[Cu]I>[NH2:8][C:16]1[C:21]([C:22]#[C:23][C:36]([C:37]2[CH:42]=[CH:41][CH:40]=[CH:39][CH:38]=2)=[O:43])=[N:20][C:19]([C:24]2[CH:29]=[CH:28][C:27]([S:30]([CH:33]([CH3:34])[CH3:35])(=[O:32])=[O:31])=[CH:26][CH:25]=2)=[CH:18][N:17]=1
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참가 물질

9

반응물 4

HCID 6422Trifluoroacetic acidHCID 7412Benzoyl chlorideHCID 11776TriphenylphosphineHCID 59471983N,N-Di(Boc)-3-ethynyl-5-[4-(isopropylsulfonyl)phenyl]pyrazin-2-amine

생성물 1

HCID 866827683-(3-Amino-6-(4-(isopropylsulfonyl)phenyl)pyrazin-2-yl)-1-phenylprop-2-yn-1-one

시약·촉매·용매 4

HCID 24290
Palladium Chloride
촉매
HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)촉매
HCID 6344Dichloromethane용매
HCID 8028Tetrahydrofuran용매

실험 절차

tert-butyl N-tert-butoxycarbonyl-N-[3-ethynyl-5-(4-isopropylsulfonylphenyl)pyrazin-2-yl]carbamate (200 mg, 0.3987 mmol), benzoyl chloride (56.04 mg, 46.28 μL, 0.3987 mmol), TEA (44.38 mg, 61.13 μL, 0.4386 mmol) was added to a solution of dichloropalladium; triphenylphosphane (27.98 mg, 0.03987 mmol) and CuI (15.19 mg, 0.07974 mmol) in degassed THF (4 mL). The reaction mixture was stirred overnight at ambient temperature. The reaction mixture was concentrated in vacuo. The residue was partitioned between DCM and NaHCO3 aq sat. The combined organic extract was dried (MgSO4) and concentrated in vacuo yielding an oil that was dissolved in DCM (10 mL). TFA (1 mL) was added and the mixture was stirred at ambient temperature for 30 min. The mixture was concentrated in vacuo to provide the sub-titled product which was used in the next reaction without further purification. LC/MS m/z 406.1 [M+H]+.

후처리

  1. concentrationThe reaction mixture was concentrated in vacuo
  2. customThe residue was partitioned between DCM and NaHCO3 aq sat. The combined
  3. extractionorganic extract
  4. dry with materialwas dried (MgSO4)
  5. concentrationconcentrated in vacuo
  6. customyielding an oil that
  7. stirringthe mixture was stirred at ambient temperature for 30 min
  8. concentrationThe mixture was concentrated in vacuo

출처 및 근거

ORD 기록
ord-4454b3409bb046f98aee3cc823e0b096
출처 데이터셋
uspto-grants-2014_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08841337B2

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