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Potassium Phosphate, Tribasic → 2-(4-((6-Methoxypyridin-3-yl)methylamino)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)-5-methylbenzonitrile

HRID 657793
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HRID 657793 반응식
Br[C:2]1[CH:3]=[CH:4][C:5]([N:10]2[CH2:29][CH2:28][C:13]3[N:14]=[CH:15][N:16]=[C:17]([NH:18][CH2:19][C:20]4[CH:21]=[N:22][C:23]([O:26][CH3:27])=[CH:24][CH:25]=4)[C:12]=3[CH2:11]2)=[C:6]([CH:9]=1)[C:7]#[N:8].[CH3:30]B(O)O.P([O-])([O-])([O-])=O.[K+].[K+].[K+].C1(P(C2CCCCC2)C2CCCCC2)CCCCC1>C([O-])(=O)C.[Pd+2].C([O-])(=O)C.O.C1(C)C=CC=CC=1>[CH3:27][O:26][C:23]1[N:22]=[CH:21][C:20]([CH2:19][NH:18][C:17]2[C:12]3[CH2:11][N:10]([C:5]4[CH:4]=[CH:3][C:2]([CH3:30])=[CH:9][C:6]=4[C:7]#[N:8])[CH2:29][CH2:28][C:13]=3[N:14]=[CH:15][N:16]=2)=[CH:25][CH:24]=1
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참가 물질

8

반응물 4

HCID 62657Potassium Phosphate, TribasicHCID 75806TricyclohexylphosphineHCID 139377Methylboronic AcidHCID 250624105-Bromo-2-(4-((6-methoxypyridin-3-yl)methylamino)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)benzonitrile

생성물 1

HCID 250223552-(4-((6-Methoxypyridin-3-yl)methylamino)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)-5-methylbenzonitrile

시약·촉매·용매

3
HCID 167845palladium(II) acetate촉매HCID 962Water용매HCID 1140Toluene용매

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온도
100 °C

실험 절차

To a mixture of 5-bromo-2-(4-((6-methoxypyridin-3-yl)methylamino)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)benzonitrile (55 mg, 0.12 mmol), methylboronic acid (18 mg, 0.30 mmol), potassium phosphate (90.6 mg, 0.427 mmol), tricyclohexylphosphine (6.8 mg, 0.024 mmol), toluene (3 mL), and water (0.2 mL) under argon was added palladium acetate (2.7 mg, 0.012 mmol). The mixture was heated at 100° C. for 3 h and then cooled to rt. The mixture was filtered through Celite and the filter cake was washed with EtOAc. The filtrate was concentrated and the residue was purified by preparative HPLC to yield an off-white solid.

후처리

  1. temperaturecooled to rt
  2. filtrationThe mixture was filtered through Celite
  3. washthe filter cake was washed with EtOAc
  4. concentrationThe filtrate was concentrated
  5. customthe residue was purified by preparative HPLC
  6. customto yield an off-white solid

출처 및 근거

ORD 기록
ord-07f7e12d479b4d25a58aab7a49ca9cce
출처 데이터셋
uspto-grants-2011_12
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08076345B2

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