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2-Aminopyrimidine → N-(4-chloro-2-pyridinyl)pyrimidin-2-amine

HRID 710
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HRID 710 반응식
Clc1ccnc(Cl)c1.Nc1ncccn1>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]>Clc1ccnc(Nc2ncccn2)c1
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참가 물질

7

반응물 2

HCID 79782-AminopyrimidineHCID 335152,4-Dichloropyridine

생성물 1

HCID 118249159N-(4-chloro-2-pyridinyl)pyrimidin-2-amine수율 55.35%

시약·촉매·용매 4

HCID 10796Cesium carbonate시약HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)촉매
HCID 4144353
Palladium (II) acetate
촉매
HCID 312751,4-Dioxane용매

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온도
100 °C

실험 절차

Palladium(II) acetate (0.607 g, 2.70 mmol) was added to 2,4-dichloropyridine (5.00 g, 33.79 mmol), 2-Aminopyrimidine (3.21 g, 33.79 mmol), 9,9-Dimethyl-4,5-bis(diphenylphosphino)xanthene (2.346 g, 4.05 mmol) and Cesium carbonate (22.02 g, 67.57 mmol) in dioxane (15 mL) at 20ºC under nitrogen. The resulting suspension was stirred at 100 °C for 90 minutes. Complete reaction by LCMS, cooled to room temperature. The reaction mixture was then filtered, washed with DCM and filtrate concentrated _in vacuo_ to give a yellow gum. This was then dissolved in DCM (200 mL), washed with water (200 mL) and brine (200 mL). The organic layer was passed through phase separating cartridge and concentrated under reduced pressure. The crude material was suspended in DCM, solid filtered off and dried to give EN01580-46-2 N-(4-chloropyridin-2-yl)pyrimidin-2-amine (2.975 g, 42.6 %). The filtrate was purified by silica gel chromatography, elution gradient 0 to 50% EtOAc in isohexane. Pure fractions were evaporated to dryness to afford EN01580-46-1, N-(4-chloropyridin-2-yl)pyrimidin-2-amine (0.889 g, 12.73 %) as a white solid.

출처 및 근거

ORD 기록
ord-89c8603d021344778ef0d6ba16c5f635
출처 데이터셋
750 AstraZeneca ELN dataset
원본 링크
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