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

反応式

[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:14]=[C:15]([CH:18]=[CH:19][CH:20]=1)[C:16]#[N:17])#[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:14]=[C:15]([CH:18]=[CH:19][CH:20]=3)[C:16]#[N:17])[O:1][N:2]=2)[CH:5]=1

参加物

反応物 3

HCID 222Ammonia

HCID 120889643-Ethynylbenzonitrile

HCID 53404818N-Hydroxy-3-pyridinecarboximidoyl chloride

生成物 1

HCID 445462303-(3-(Pyridin-3-yl)isoxazol-5-yl)benzonitrile

実験手順

The titled compound was prepared according to Method CB using the product of Example 1A (78 mg, 0.5 mmol) and the product of Example 19A (64 mg, 0.5 mmol). 1H NMR (300 MHz, MeOH-d4) 87.53 (s, 1H), 7.61 (ddd, J=8.1, 5.0, 0.8 Hz, 1H), 7.75 (t, J=7.8 Hz, 1H), 7.88 (dt, J=7.7, 1.4 Hz, 1H), 8.23 (dt, J=8.1, 1.4 Hz, 1H), 8.31 (t, J=1.7 Hz, 1H), 8.38 (dt, J=8.1, 1.9 Hz, 1H), 8.68 (dd, J=5.1, 1.7 Hz, 1H), 9.10 (d, J=2.0 Hz, 1H) ppm; MS (DCI/NH3) m/z 248 (M+H)+.

出典と根拠

ORDレコード: ord-b1b41d70655f425087946eb5c818ffb9
出典データセット: uspto-grants-2013_02
DOI: 10.6084/m9.figshare.5104873.v1
特許番号: US08383658B2

反応ノート

読み込み中…