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1,3-dimethyl-1H-pyrazol-4-amine → 6-[(1,3-Dimethylpyrazol-4-yl)amino]-4-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-8-yl)amino]pyridine-3-carbonitrile

HRID 35
ノート
印刷プレビュー

反応式

HRID 35 の反応式
CN1CCc2cccc(Nc3cc(Cl)ncc3C#N)c2C1=O.Cc1nn(C)cc1N>C1COCCO1.CC(=O)O.CC(=O)O.CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.O=C([O-])[O-].[Cs+].[Cs+].[Pd]>Cc1nn(C)cc1Nc1cc(Nc2cccc3c2C(=O)N(C)CC3)c(C#N)cn1
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 44310561,3-dimethyl-1H-pyrazol-4-amineHCID 866551326-Chloro-4-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-8-yl)amino]pyridine-3-carbonitrile

生成物 1

HCID 446093546-[(1,3-Dimethylpyrazol-4-yl)amino]-4-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-8-yl)amino]pyridine-3-carbonitrile収率 7.33%

試薬・触媒・溶媒 4

HCID 10796Cesium carbonate試薬
HCID 636044
1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)
触媒
HCID 4144353Palladium (II) acetate触媒
HCID 312751,4-Dioxane溶媒

反応条件

温度
90 °C

実験手順

6-chloro-4-(2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinolin-8-ylamino)nicotinonitrile (595 mg, 1.90 mmol), Palladium(II) acetate (34.2 mg, 0.15 mmol), 9,9-Dimethyl-4,5-bis(diphenylphosphino)xanthene (132 mg, 0.23 mmol), 1,3-dimethyl-1H-pyrazol-4-amine (423 mg, 3.80 mmol) and Cesium carbonate (744 mg, 2.28 mmol) were suspended in dioxane (40 mL). The reaction was purged for 5 mins with nitrogen and then heated to 90 °C for 2 hour with stirring. The reaction was cooled to RT. The crude product was purified by ion exchange chromatography, using an SCX column. The desired crude product was eluted from the column using 7M NH3/MeOH and fractions were evaporated to dryness to afford crude product .The crude product was purified by preparative basic HPLC. Fractions containing the desired compound were evaporated to dryness to afford 6-(1,3-dimethyl-1H-pyrazol-4-ylamino)-4-(2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinolin-8-ylamino)nicotinonitrile (54.0 mg, 7.33 %) as a beige solid.

出典と根拠

ORDレコード
ord-2e4132c3c32149d3a68cd64301eacce5
出典データセット
750 AstraZeneca ELN dataset
元リンク
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反応ノート

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