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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
ノート
印刷プレビュー

反応式

HRID 657793 の反応式
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
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

8

反応物 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

生成物 1

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

試薬・触媒・溶媒

3
HCID 167845palladium(II) acetate触媒HCID 962Water溶媒HCID 1140Toluene溶媒

反応条件

温度
100 °C

実験手順

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.

後処理

  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

出典と根拠

ORDレコード
ord-07f7e12d479b4d25a58aab7a49ca9cce
出典データセット
uspto-grants-2011_12
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08076345B2

反応ノート

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このページの内容参加物反応条件実験手順後処理出典と根拠反応ノート