3-Fluoro-4-piperazin-1-yl-benzonitrile → 3-Fluoro-4-(4-(3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoyl)piperazin-1-yl)benzonitrile

HRID 875014ノート

反応式

HRID 875014 の反応式
[F:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][C:9]=1[N:10]1[CH2:15][CH2:14][NH:13][CH2:12][CH2:11]1)[C:5]#[N:6].[F:16][C:17]([F:33])([F:32])[C:18]1[O:22][N:21]=[C:20]([C:23]2[CH:24]=[C:25]([CH:29]=[CH:30][CH:31]=2)[C:26](O)=[O:27])[N:19]=1>>[F:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][C:9]=1[N:10]1[CH2:15][CH2:14][N:13]([C:26](=[O:27])[C:25]2[CH:29]=[CH:30][CH:31]=[C:23]([C:20]3[N:19]=[C:18]([C:17]([F:33])([F:32])[F:16])[O:22][N:21]=3)[CH:24]=2)[CH2:12][CH2:11]1)[C:5]#[N:6]

参加物

3

反応物 2

HCID 5961133-Fluoro-4-piperazin-1-yl-benzonitrileHCID 251808543-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid

生成物 1

HCID 533279243-Fluoro-4-(4-(3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoyl)piperazin-1-yl)benzonitrile収率 38%

実験手順

This compound was synthesized from 3-fluoro-4-(piperazin-1-yl)benzonitrile and 3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid as described for example 37 step 3 (100 mg, yield 38%). 1H NMR (400 MHz, DMSO-d6) δ 8.17-8.15 (dt, J=6.6 Hz, 1.7 Hz, 1H), 8.09 (s, 1H), 7.75-7.72 (m, 3H), 7.61-7.58 (dd, J=8.5 Hz, 1.5 Hz, 1H), 7.17-7.13 (t, J=8.7 Hz, 1H), 3.81 (m, 2H), 3.52 (m, 2H), 3.19 (m, 4H). MS (ESI) m/z: Calculated for C21H15F4N5O2: 445.12. found: 446.2 (M+H)+

出典と根拠

ORDレコード
ord-171168492c674416adfe78fffc1f8c11
出典データセット
uspto-grants-2015_03
特許番号
US08981084B2

反応ノート

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