Ammonia → 4-(3-(Pyridin-3-yl)isoxazol-5-yl)benzonitrile

반응식

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

참가 물질

반응물 3

HCID 222Ammonia

HCID 45472454-Ethynylbenzonitrile

HCID 53404818N-Hydroxy-3-pyridinecarboximidoyl chloride

생성물 1

HCID 445461614-(3-(Pyridin-3-yl)isoxazol-5-yl)benzonitrile

실험 절차

The titled compound was prepared as the hydrochloride salt according to Method CB using the product of Example 1A (78 mg, 0.5 mmol) and 4-ethynylbenzonitrile (Aldrich, 64 mg, 0.6 mmol). 1H NMR (300 MHz, DMSO-d6) δ7.69 (dd, J=8.0, 4.9 Hz, 2H), 7.96 (s, 1H), 8.03-8.20 (m, 3H), 8.39 (d, J=7.8 Hz, 1H), 8.78 (dd, J=4.7, 1.7 Hz, 1H), 9.16 (d, J=2.4 Hz, 1H) ppm; MS (DCI/NH3) m/z 248 (M+H)+.

출처 및 근거

ORD 기록: ord-8977febfb27f4ca9ba0611657e6477a3
출처 데이터셋: uspto-grants-2013_02
DOI: 10.6084/m9.figshare.5104873.v1
특허 번호: US08383658B2

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