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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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tert-Butyl carbamate → 2-Amino-4-fluoropyridine

HRID 160
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HRID 160 반응식
CC(C)(C)OC(N)=O.Fc1ccnc(Cl)c1>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.O=C([O-])[O-].[Cs+].[Cs+].[Pd].[Pd]>Nc1cc(F)ccn1
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참가 물질

7

반응물 2

HCID 77922tert-Butyl carbamateHCID 27827922-Chloro-4-fluoropyridine

생성물 1

HCID 183278082-Amino-4-fluoropyridine수율 25.34%

시약·촉매·용매 4

HCID 10796Cesium carbonate시약HCID 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
90 °C

실험 절차

2-chloro-4-fluoropyridine (1.5 g, 11.40 mmol), tert-butyl carbamate (1.403 g, 11.97 mmol), CESIUM CARBONATE (7.43 g, 22.81 mmol) ,TRIS(DIBENZYLIDENEACETONE)DIPALLADIUM (0.418 g, 0.46 mmol) and 9,9-DIMETHYL-4,5-BIS(DIPHENYLPHOSPHINO)XANTHENE (0.528 g, 0.91 mmol) were suspended in 1,4-dioxane (28 ml) ,degased with argon and heated to 90 °C for 4 hours. After cooling the reaction was quenched with water and extracted with ethyl acetate ( x 2 ). The combined organic phases were washed with water , a saturated aqueous solution of brine , dried over magnesium sulfate , concentrated then purified by preparative HPLC using a Waters X-Bridge reverse-phase column (C-18, 5 microns silica, 19 mm diameter, 100 mm length, flow rate of 40 ml / minute) and decreasingly polar mixtures of water (containing 0.2% ammonium carbonate) and acetonitrile as eluent. The product was diluted in DCM (5 mL) and was added TFA (1.00 mL). After 15 minutes, the volatiles were evaporated. The residue was treated with aq NH3 30% and reevaporated.

출처 및 근거

ORD 기록
ord-81dfebc5c5a442faa29242be372b9cb1
출처 데이터셋
750 AstraZeneca ELN dataset
원본 링크
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