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2-Methyl-2H-pyrazol-3-ylamine → 8-(5-chloro-2-(1-methyl-1H-pyrazol-5-ylamino)pyridin-4-ylamino)-2-methyl-3,4-dihydroisoquinolin-1(2H)-one

HRID 124
ノート
印刷プレビュー

反応式

HRID 124 の反応式
CN1CCc2cccc(Nc3cc(Cl)ncc3Cl)c2C1=O.Cn1nccc1N>C1COCCO1.CC(C)(C)[O-].CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Na+].[Pd].[Pd]>CN1CCc2cccc(Nc3cc(Nc4ccnn4C)ncc3Cl)c2C1=O
参加物反応条件実験手順出典と根拠反応ノート

参加物

7

反応物 2

HCID 1369272-Methyl-2H-pyrazol-3-ylamineHCID 866551378-[(2,5-Dichloropyridin-4-yl)amino]-2-methyl-3,4-dihydroisoquinolin-1-one

生成物 1

HCID 446090408-(5-chloro-2-(1-methyl-1H-pyrazol-5-ylamino)pyridin-4-ylamino)-2-methyl-3,4-dihydroisoquinolin-1(2H)-one収率 43.76%

試薬・触媒・溶媒 4

HCID 23676156Sodium t-butoxide試薬
HCID 636044
1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)
触媒
HCID 9811564Bis(dibenzylideneacetone)palladium触媒
HCID 312751,4-Dioxane溶媒

反応条件

温度
150 °C

実験手順

8-(2,5-dichloropyridin-4-ylamino)-2-methyl-3,4-dihydroisoquinolin-1(2H)-one (100 mg, 0.31 mmol), 1-methyl-1H-pyrazol-5-amine (60.3 mg, 0.62 mmol), sodium 2-methylpropan-2-olate (44.7 mg, 0.47 mmol), (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (35.9 mg, 0.06 mmol) and TRIS(DIBENZYLIDENEACETONE)DIPALLADIUM (28.4 mg, 0.03 mmol) were suspended in dioxane (2 mL) and sealed into a microwave tube. The reaction was degased, purged with nitrogen and heated to 150 °C over a period of 30 minutes in the microwave reactor. Reaction was filtered, washed with CH2Cl2 and concentrated to dryness. The reaction mixture was purified by preparative HPLC using a Waters X-Bridge reverse-phase column (5 microns silica, 30 mm diameter, 150 mm length) and decreasingly polar mixtures of water (containing 1% acetic acid) and acetonitrile as eluent. The fractions containing product were combined and basified with saturated aqueous solution of NaHCO3. Aqueous layer was extracted with CH2Cl2 (2x15 mL). Organic layer was washed with brine, dried over MgSO4 and concentrated to dryness to afford 8-(5-chloro-2-(1-methyl-1H-pyrazol-5-ylamino)pyridin-4-ylamino)-2-methyl-3,4-dihydroisoquinolin-1(2H)-one (52.0 mg, 43.8 %) as a pale purple crystalline solid.

出典と根拠

ORDレコード
ord-7ebbc5e119754d3d92d97de9cf239bc6
出典データセット
750 AstraZeneca ELN dataset
元リンク
出典を表示

反応ノート

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