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Hydrochloric Acid → (S)-1-(5-fluoropyrimidin-2-yl)-6-methyl-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridine-hydrochloride salt

HRID 2177636
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HRID 2177636 반응식
[F:1][C:2]1[CH:3]=[N:4][C:5]([N:8]2[C:16]3[CH2:15][C@H:14]([CH3:17])[N:13](C(OC(C)(C)C)=O)[CH2:12][C:11]=3[N:10]=[N:9]2)=[N:6][CH:7]=1.[ClH:25].O1CCOCC1>C(Cl)Cl>[ClH:25].[F:1][C:2]1[CH:3]=[N:4][C:5]([N:8]2[C:16]3[CH2:15][C@H:14]([CH3:17])[NH:13][CH2:12][C:11]=3[N:10]=[N:9]2)=[N:6][CH:7]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 90408514(S)-tert-butyl 1-(5-fluoropyrimidin-2-yl)-6-methyl-6,7-dihydro-1H-[1,2,3]triazolo[4,5-c]pyridine-5(4H)-carboxylate

생성물 1

HCID 90408506(S)-1-(5-fluoropyrimidin-2-yl)-6-methyl-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridine-hydrochloride salt수율 100%

시약·촉매·용매 1

HCID 6344
Dichloromethane
용매

실험 절차

To a solution of (S)-tert-butyl 1-(5-fluoropyrimidin-2-yl)-6-methyl-6,7-dihydro-1H-[1,2,3]triazolo[4,5-c]pyridine-5(4H)-carboxylate (0.711 g, 2.13 mmol) in CH2Cl2 (10 mL) was added 4M HCl in dioxane (2.66 mL, 10.6 mmol). After stirring overnight at rt, the reaction was concentrated in vacuo to give the desired product as a light yellow solid (0.580 mg, 100%). MS (ESI) mass calcd. C10H11FN6, 234.23. m/z found, 235.1 [M+H]+. 1H NMR (400 MHz, DMSO) δ 9.97-9.69 (m, 1H), 9.15 (s, 2H), 4.58-4.35 (m, 2H), 3.80-3.47 (m, 2H), 3.21-3.03 (m, 1H), 1.46 (d, J=6.5 Hz, 3H).

후처리

  1. concentrationthe reaction was concentrated in vacuo

출처 및 근거

ORD 기록
ord-1d20d64d8cf7482e96d73e0263f362c3
출처 데이터셋
uspto-grants-2015_06
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09066946B2

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