5-Hydroxy-2-pentanone → 6-(1-Hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yloxy)-2-(4-oxopentyloxy)-4-(trifluoromethyl)nicotinonitrile

HRID 1020830

반응식

HRID 1020830 반응식
Cl[C:2]1[N:10]=[C:9](Cl)[CH:8]=[C:7]([C:12]([F:15])([F:14])[F:13])[C:3]=1[C:4]([NH2:6])=O.[OH:16][CH2:17][CH2:18][CH2:19][C:20](=[O:22])[CH3:21].[B:23]1([OH:33])[C:27]2[CH:28]=[CH:29][C:30]([OH:32])=[CH:31][C:26]=2[CH2:25][O:24]1>>[OH:33][B:23]1[C:27]2[CH:28]=[CH:29][C:30]([O:32][C:9]3[CH:8]=[C:7]([C:12]([F:15])([F:14])[F:13])[C:3]([C:4]#[N:6])=[C:2]([O:16][CH2:17][CH2:18][CH2:19][C:20](=[O:22])[CH3:21])[N:10]=3)=[CH:31][C:26]=2[CH2:25][O:24]1

참가 물질

4

반응물 3

HCID 140665-Hydroxy-2-pentanoneHCID 27368742,6-Dichloro-4-(trifluoromethyl)nicotinamideHCID 579686991,3-Dihydro-1-hydroxy-2,1-benzoxaborol-5-ol

생성물 1

HCID 667266366-(1-Hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yloxy)-2-(4-oxopentyloxy)-4-(trifluoromethyl)nicotinonitrile

실험 절차

This compound was prepared from 2,6-dichloro-4-(trifluoromethyl)nicotinamide, 5-hydroxypentan-2-one, and benzo[c][1,2]oxaborole-1,5(3H)-diol in a similar manner to that of D230. 1H-NMR (400 MHz, DMSO-d6) δ (ppm) 1.85-1.88 (m, 2H), 1.93 (s, 3H), 2.95-2.99 (t, J=4.9 Hz, 2H), 3.91-3.94 (t, J=5.4 Hz, 2H), 5.01 (s, 2H), 7.21 (dd, J=6.0, 1.5 Hz, 1H), 7.3 (s, 1H), 7.64 (s, 1H), 7.81 (d, J=6.0 Hz, 1H), 9.26 (s, 1H).

출처 및 근거

ORD 기록
ord-16427960f9e84249b4df5316194f6ec7
출처 데이터셋
uspto-grants-2014_05
특허 번호
US08716478B2

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