HCID 9815198, compound → HCID 9857886, compound

HRID 586218Notes

Reaction equation

C[C:2]1[CH:7]=[N:6][N:5]2[C:8]([C:11]3[CH:12]=[C:13]([C:17]4[C:18]([C:23]#[N:24])=[CH:19][CH:20]=[CH:21][CH:22]=4)[CH:14]=[CH:15][CH:16]=3)=[CH:9][N:10]=[C:4]2[N:3]=1.[CH2:25](Cl)Cl.CCOC(C)=O.CCCC(C)C>>[CH3:25][C:7]1[CH:2]=[N:3][C:4]2[N:5]([C:8]([C:11]3[CH:12]=[C:13]([C:17]4[C:18]([C:23]#[N:24])=[CH:19][CH:20]=[CH:21][CH:22]=4)[CH:14]=[CH:15][CH:16]=3)=[CH:9][N:10]=2)[N:6]=1

Participants

Reactant 2

HCID 9815198HCID 9815198, compound

HCID 86759820HCID 86759820, compound

Product 1

HCID 9857886HCID 9857886, compound

Procedure

1H NMR (400 MHz, CDCl3) δ 2.72 (3H, s), 7.50 (1H, td, J 7.6, 1.3 Hz), 7.59-7.67 (3H, m), 7.70 (1H, td, J 7.7, 1.4 Hz), 7.82 (1H, dd, J 7.8, 1.0 Hz), 8.14 (1H, dt, J 7.6, 1.6 Hz), 8.29 (2H, m), 8.37 (1H, s); MS (ES+) m/z 312 [M+H]+. 3′-(3-Methylimidazo[1,2-b][1,2,4]triazin-7-yl)biphenyl-2-carbonitrile: mp 211-216° C. (CH2Cl2-EtOAc-isohexane); 1H NMR (400 MHz, CDCl3) δ 2.73 (3H, s), 7.50 (1H, td, J 7.6, 1.3 Hz), 7.59-7.66 (3H, m), 7.70 (1H, td, J 7.7, 1.4 Hz), 7.82 (1H, dd, J 7.8, 1.4 Hz), 8.10 (1H, dt, J 7.6, 1.5 Hz), 8.29 (2H, t, J 1.4 Hz), 8.26 (1H, s), 8.36 (1H, s); MS (ES+) m/z 312 [M+H]+.

Sources & evidence

ORD record: ord-f76f86d193fa461b951fe75b42b4cd29
Source dataset: uspto-grants-2005_08
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US06936608B2

Reaction notes

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