Ammonia → 3-Chloro-5-(3-(5-fluoropyridin-3-yl)isoxazol-5-yl)benzonitrile

HRID 390498ノート

反応式

HRID 390498 の反応式
[F:1][C:2]1[CH:3]=[N:4][CH:5]=[C:6]([CH:11]=1)[C:7](Cl)=[N:8][OH:9].[Cl:12][C:13]1[CH:14]=[C:15]([CH:18]=[C:19]([C:21]#[CH:22])[CH:20]=1)[C:16]#[N:17].N>>[Cl:12][C:13]1[CH:14]=[C:15]([CH:18]=[C:19]([C:21]2[O:9][N:8]=[C:7]([C:6]3[CH:5]=[N:4][CH:3]=[C:2]([F:1])[CH:11]=3)[CH:22]=2)[CH:20]=1)[C:16]#[N:17]

参加物

4

反応物 3

HCID 222AmmoniaHCID 866368465-Fluoro-N-hydroxynicotinimidoyl chlorideHCID 866368483-Chloro-5-ethynylbenzonitrile

生成物 1

HCID 445456883-Chloro-5-(3-(5-fluoropyridin-3-yl)isoxazol-5-yl)benzonitrile

実験手順

The titled compound was prepared according to Method CB using the product of Example 28B (88 mg, 0.5 mmol) and the product of Example 66A (82 mg, 0.5 mmol). 1H NMR (300 MHz, MeOH-d4) δ 8.00 (s, 1H), 8.22 (ddd, J=9.5, 2.7, 1.7 Hz, 1H), 8.26 (dd, J=2.0, 1.4 Hz, 1H), 8.33 (t, J=1.7 Hz, 1H), 8.40 (t, J=1.5 Hz, 1H), 8.79 (d, J=2.7 Hz, 1H), 8.98 (t, J=1.7 Hz, 1H) ppm; MS (DCI/NH3) m/z 300 (M+H)+, 302 (M+H)+.

出典と根拠

ORDレコード
ord-476f0d6110a640f68a2bb05c453b9b38
出典データセット
uspto-grants-2013_02
特許番号
US08383658B2

反応ノート

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