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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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2,4-Dichloropyridine → N-(4-chloro-2-pyridinyl)-1,3-oxazol-2-amine

HRID 360
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HRID 360 반응식
Clc1ccnc(Cl)c1.Nc1ncco1>C1COCCO1.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.[H-].[Na+].[Pd].[Pd]>Clc1ccnc(Nc2ncco2)c1
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참가 물질

7

반응물 2

HCID 335152,4-DichloropyridineHCID 5585212-Aminooxazole

생성물 1

HCID 130016260N-(4-chloro-2-pyridinyl)-1,3-oxazol-2-amine수율 3.03%

시약·촉매·용매 4

HCID 24758Sodium hydride시약HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)촉매
HCID 9811564
Bis(dibenzylideneacetone)palladium
촉매
HCID 312751,4-Dioxane용매

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온도
140 °C

실험 절차

Objective: If deprotonation is rate-determining in this coupling quantitative deprotonation prior to subjection to coupling conditions should prove beneficial. To an oven dried microwave vial was added oxazol-2-amine (85 mg, 1.01 mmol) together with sodium hydride (40.5 mg, 1.01 mmol), the vial was capped and purged with nitrogen and dioxane (1 mL) was added. The mixture was then stirred at rt for 1 h (initially effervescence was observed but subsided within 20 min of stirring). To the above vial was added 2,4-dichloropyridine (0.109 mL, 1.01 mmol), TRIS(DIBENZYLIDENEACETONE)DIPALLADIUM(0) (22.89 mg, 0.02 mmol) and (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (44.0 mg, 0.08 mmol) (Xantphos) as a solution in dioxane (2 mL) and the reaction mixture was heated to 140 °C for 1 h under microwave irradiation. Dichloromethane (10 mL) was added to the crude reaction mixture and the mixture was absorbed onto silica. The crude product was purified by flash silica chromatography, elution gradient 0 to 20% EtOAc in heptane. Pure fractions were evaporated to dryness to afford N-(4-chloropyridin-2-yl)oxazol-2-amine (6.00 mg, 3.03 %) as a pale yellow dry film. Conclusion: The formal deprotonation appears to have had no benificial effect on this coupling.

출처 및 근거

ORD 기록
ord-76fdaa39a364497293ede72dc7b21aee
출처 데이터셋
750 AstraZeneca ELN dataset
원본 링크
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