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

HRID 2284514

반응식

HRID 2284514 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.[CH:16]([O:19][CH2:20][CH2:21][OH:22])([CH3:18])[CH3:17].[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:22][CH2:21][CH2:20][O:19][CH:16]([CH3:18])[CH3:17])[N:10]=3)=[CH:31][C:26]=2[CH2:25][O:24]1

참가 물질

4

반응물 3

HCID 7996IsopropylethanediolHCID 27368742,6-Dichloro-4-(trifluoromethyl)nicotinamideHCID 579686991,3-Dihydro-1-hydroxy-2,1-benzoxaborol-5-ol

생성물 1

HCID 667266276-(1-Hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yloxy)-2-(2-isopropoxyethoxy)-4-(trifluoromethyl)nicotinonitrile

실험 절차

This compound was prepared from 2,6-dichloro-4-(trifluoromethyl)nicotinamide (obtained from Peakdale), 2-isopropoxyethanol, 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) 1.72-1.75 (m, 2H), 2.05 (s, 3H), 2.38 (t, J=5.4 Hz, 2H), 4.03 (t, J=5.4 Hz, 2H), 5.03 (s, 2H), 7.13 (d, J=7.8 Hz, 1H), 7.2 (s, 1H), 8.61 (s, 1H), 9.36 (s, 1H).

출처 및 근거

ORD 기록
ord-0743e16ec2f24e78826963f14a3494a2
출처 데이터셋
uspto-grants-2015_09
특허 번호
US09145429B2

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