Isopropylethanediol → HCID 66726512, compound

HRID 1020831Notes

Reaction equation

HRID 1020831 reaction equation
Cl[C:2]1[C:7]([C:8]#[N:9])=[CH:6][C:5]([C:10]#[N:11])=[C:4](Cl)[N:3]=1.[CH:13]([O:16][CH2:17][CH2:18][OH:19])([CH3:15])[CH3:14].[B:20]1([OH:30])[C:24]2[CH:25]=[CH:26][C:27]([OH:29])=[CH:28][C:23]=2[CH2:22][O:21]1>>[OH:30][B:20]1[C:24]2[CH:25]=[CH:26][C:27]([O:29][C:2]3[C:7]([C:8]#[N:9])=[CH:6][C:5]([C:10]#[N:11])=[C:4]([O:19][CH2:18][CH2:17][O:16][CH:13]([CH3:15])[CH3:14])[N:3]=3)=[CH:28][C:23]=2[CH2:22][O:21]1

Participants

4

Reactant 3

HCID 7996IsopropylethanediolHCID 8502212,6-dichloropyridine-3,5-dicarbonitrileHCID 579686991,3-Dihydro-1-hydroxy-2,1-benzoxaborol-5-ol

Product 1

HCID 66726512HCID 66726512, compound

Procedure

This compound was prepared from 2,6-dichloropyridine-3,5-dicarbonitrile (obtained from Aces Pharma), 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) 1.0 (d, J=4.5 Hz, 6H), 3.42-3.45 (m, 1H), 3.49-3.51 (m, 2H), 4.14-4.16 (m, 2H), 5.01 (s, 2H), 7.3 (d, J=6.3 Hz, 1H), 7.39 (s, 1H), 7.81 (d, J=6.6 Hz, 1H), 8.94 (s, 1H), 9.28 (s, 1H).

Sources & evidence

ORD record
ord-d271e3ca58564e62bf3d204f1b2706be
Source dataset
uspto-grants-2014_05
Patent number
US08716478B2

Reaction notes

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