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Triethylamine → (S)-2-chloro-5-fluoro-6-((1-hydroxy-3,3-dimethylbutan-2-yl)amino)nicotinonitrile

HRID 2171879
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HRID 2171879 반응식
[Cl:1][C:2]1[C:7]([C:8]#[N:9])=[CH:6][C:5]([F:10])=[C:4](F)[N:3]=1.[NH2:12][C@@H:13]([C:16]([CH3:19])([CH3:18])[CH3:17])[CH2:14][OH:15].C(N(CC)CC)C>CC#N.C1COCC1>[Cl:1][C:2]1[N:3]=[C:4]([NH:12][C@@H:13]([C:16]([CH3:19])([CH3:18])[CH3:17])[CH2:14][OH:15])[C:5]([F:10])=[CH:6][C:7]=1[C:8]#[N:9]
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참가 물질

6

반응물 3

HCID 8471TriethylamineHCID 2734079(2S)-2-Amino-3,3-dimethyl-1-butanolHCID 735548082-Chloro-5,6-difluoronicotinonitrile

생성물 1

HCID 86714760(S)-2-chloro-5-fluoro-6-((1-hydroxy-3,3-dimethylbutan-2-yl)amino)nicotinonitrile수율 72.2%

시약·촉매·용매 2

HCID 6342Acetonitrile용매
HCID 8028
Tetrahydrofuran
용매

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온도
80 °C

실험 절차

A mixture of 2-chloro-5,6-difluoropyridine-3-carbonitrile (6.52 g, 34.13 mmol), (2S)-2-amino-3,3-dimethyl-butan-1-ol (4.00 g, 34.13 mmol) and triethylamine (9.51 mL, 68.26 mmol) in CH3CN (50 mL) and THF (50 mL) was heated at 80° C. for 4 hours. The mixture was cooled to room temperature and the solvent was evaporated under reduced pressure. The crude product was purified via silica gel chromatography (0-60% EtOAc/Hexanes gradient) to afford 6.7 g of the desired product as an off white solid: 1H NMR (400 MHz, CDCl3) δ 7.25 (d, J=9.7 Hz, 1H), 5.32 (m, 1H), 4.19-4.08 (m, 1H), 3.95-3.83 (m, 1H), 3.74-3.51 (m, 1H), 0.92 (s, 9H); LC/MS (60-90% ACN/water 5 min with 0.9% FA) m/z 272.02 (M+H), retention time 1.02 minutes.

후처리

  1. temperatureThe mixture was cooled to room temperature
  2. customthe solvent was evaporated under reduced pressure
  3. customThe crude product was purified via silica gel chromatography (0-60% EtOAc/Hexanes gradient)

출처 및 근거

ORD 기록
ord-1c456a69c9b8443abf2d56f0e6e220b8
출처 데이터셋
uspto-grants-2015_06
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09051319B2

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