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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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N-(4-chloropyridin-2-yl)cyclopropanecarboxamide → N-[4-[(6-Chloro-[1,3]dioxolo[4,5-B]pyridin-7-Yl)amino]-2-Pyridyl]cyclopropanecarboxamide

HRID 39
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HRID 39 반응식
Nc1c(Cl)cnc2c1OCO2.O=C(Nc1cc(Cl)ccn1)C1CC1>C1CCC2=NCCCN2CC1.CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.Cc1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd]>O=C(Nc1cc(Nc2c(Cl)cnc3c2OCO3)ccn1)C1CC1
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참가 물질

7

반응물 2

HCID 4394171N-(4-chloropyridin-2-yl)cyclopropanecarboxamideHCID 685486516-chloro-2H-[1,3]dioxolo[4,5-b]pyridin-7-amine

생성물 1

HCID 121232401N-[4-[(6-Chloro-[1,3]dioxolo[4,5-B]pyridin-7-Yl)amino]-2-Pyridyl]cyclopropanecarboxamide수율 32.5%

시약·촉매·용매 4

HCID 811841,8-Diazabicyclo(5.4.0)undec-7-ene시약
HCID 636044
1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)
촉매
HCID 6505921(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one; palladium촉매
HCID 1140Toluene용매

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온도
130 °C

실험 절차

2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine (0.190 mL, 1.27 mmol) was added to a mixture of N-(4-chloropyridin-2-yl)cyclopropanecarboxamide (100 mg, 0.51 mmol), 6-chloro-[1,3]dioxolo[4,5-b]pyridin-7-amine (105 mg, 0.61 mmol) and BIS(DIBENZYLIDENEACETONE)PALLADIUM(0) (26.3 mg, 0.05 mmol) and (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (29.4 mg, 0.05 mmol) in toluene (1 mL) in a microwave tube. The reaction was degased, purged with argon and heated to 130 °C over a period of 7 hours in an oil bath. The mixture was diluted with dichloromethane, washed with water (emulsion), with brine, dried over MgSO4 and concentrated. The crude product was purified by flash chromatography on silica gel eluting with 0 to 3% methanol in dichloromethane. The solvent was evaporated to dryness to afford N-(4-(6-chloro-[1,3]dioxolo[4,5-b]pyridin-7-ylamino)pyridin-2-yl)cyclopropanecarboxamide (55.0 mg, 32.5 %) as a yellow solid.

출처 및 근거

ORD 기록
ord-1aa2de1a9b014f58b717c720b31e4a66
출처 데이터셋
750 AstraZeneca ELN dataset
원본 링크
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