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2-Methyl-2H-pyrazol-3-ylamine → (6S)-7-[(3,4-difluorophenyl)methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one

HRID 589
ノート
印刷プレビュー

反応式

HRID 589 の反応式
COC[C@@H]1Cn2cc(-c3nc(Cl)ncc3C)nc2C(=O)N1Cc1ccc(F)c(F)c1.Cn1nccc1N>CC1CCCO1.CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C([O-])[O-].[Cs+].[Cs+].[Pd].[Pd]>COC[C@@H]1Cn2cc(-c3nc(Nc4ccnn4C)ncc3C)nc2C(=O)N1Cc1ccc(F)c(F)c1
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 129116843(6S)-2-(2-chloro-5-methylpyrimidin-4-yl)-7-[(3,4-difluorophenyl)methyl]-6-(methoxymethyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one

生成物 1

HCID 129116707(6S)-7-[(3,4-difluorophenyl)methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one収率 55.03%

試薬・触媒・溶媒 4

HCID 10796
Cesium carbonate
試薬
HCID 27342172-(Dicyclohexylphosphino)-2'-(dimethylamino)biphenyl触媒
HCID 9811564Bis(dibenzylideneacetone)palladium触媒
HCID 73012-Methyltetrahydrofuran溶媒

反応条件

温度
80 °C

実験手順

2016-05-18 **time temp comment** 1 14:20 21 (S)-2-(2-chloro-5-methylpyrimidin-4-yl)-7-(3,4-difluorobenzyl)-6-(methoxymethyl)-6,7-dihydroimidazo[1,2-a]pyrazin-8(5H)-one (2.2 g, 5.07 mmol), 1-methyl-1H-pyrazol-5-amine (0.754 g, 7.61 mmol) and cesium carbonate (3.30 g, 10.14 mmol) was charged to a 100mL reactor. 2-methyl tetrahydrofuran (1.2 L) and water (0.120 L) was charged. Degassed (6x vac/N2) 14:25 21 2'-(dicyclohexylphosphanyl)-N,N-dimethyl-[1,1'-biphenyl]-2-amine (dave phos) (0.160 g, 0.41 mmol) and Pd2dba3 (0.186 g, 0.20 mmol) was added. degassed (6x vac/N2). 14:25 21 heated to 80 magnetic stirrer under nitrogen. IPC1 (1,5h) SFC-MS indicates 9.5% conversion. 2016-05-19 08:00 reflux IPC2 (18h) SFC-MS indicates 66% conversion. 14.00 reflux IPC3 (23h) SFC-MS indicates 72% conversion. The reaction mixture was cooled to 40°C and 1 eq. of catalyst and ligand was added, 0.17g Pd and 0.15g Davefos. degassed 6 times. Jacket to 80°C , stirred over night. 2016-05-20 07:45 reflux IPC4 42h complete conversion. 1.19 g of silicycle was added and the temperature was set to ambient. . 10:18:07 rt the mixture was filtered through a celite filter (25µ). the filter cake was washed with EtOAc (2x 10 ml). 10:30:44 rt the filtrate was transfered to a sep funnel and washed with aq citric acid (0,5M, 15 ml) and water (5 ml). Unfortunately when washing with water some diluted HCl was used, so the reaction mixture was basified with bicarbonate solution prior to the final water wash. The organic layer was evaporated to a solid, 2.7g Material sent to SSL for separation 2016-05-23. Yield after chromatography: 1.38g

出典と根拠

ORDレコード
ord-2d0a333d9cfc43c6a6709471b22f0443
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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