Ammonia → 2-Fluoro-5-(3-(pyrazin-2-yl)isoxazol-5-yl)benzonitrile

반응식

[OH:1][N:2]=[C:3](Cl)[C:4]1[CH:9]=[N:8][CH:7]=[CH:6][N:5]=1.[C:11]([C:13]1[CH:14]=[CH:15][C:16]([F:21])=[C:17]([CH:20]=1)[C:18]#[N:19])#[CH:12].N>>[F:21][C:16]1[CH:15]=[CH:14][C:13]([C:11]2[O:1][N:2]=[C:3]([C:4]3[CH:9]=[N:8][CH:7]=[CH:6][N:5]=3)[CH:12]=2)=[CH:20][C:17]=1[C:18]#[N:19]

참가 물질

반응물 3

HCID 222Ammonia

HCID 534292955-Ethynyl-2-fluorobenzonitrile

HCID 136395910N-Hydroxypyrazine-2-carbimidoyl chloride

생성물 1

HCID 445456152-Fluoro-5-(3-(pyrazin-2-yl)isoxazol-5-yl)benzonitrile

실험 절차

The titled compound was prepared according to Method CB using the product of Example 83D (79 mg, 0.5 mmol) and the product of Example 68A (73 mg, 0.5 mmol). 1H NMR (300 MHz, MeOH-d4) 57.57 (t, J=8.9 Hz, 1H), 7.55 (s, 1H), 8.30 (ddd, J=8.9, 5.0, 2.4 Hz, 1H), 8.40 (dd, J=5.9, 2.0 Hz, 1H), 8.71 (d, J=2.8 Hz, 1H), 8.74-8.80 (m, 1H), 9.30 (d, J=1.6 Hz, 1H) ppm; MS (DCI/NH3) m/z 267 (M+H)+.

출처 및 근거

ORD 기록: ord-897c508a8efd43e99b735521fa1a6708
출처 데이터셋: uspto-grants-2013_02
DOI: 10.6084/m9.figshare.5104873.v1
특허 번호: US08383658B2

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