Potassium Bromide → HCID 71277768, compound

HRID 62121Notes

Reaction equation

HRID 62121 reaction equation
[C:1]([C:3]1[S:4][C:5]2[C:11]([C:12]#[N:13])=[C:10](/[N:14]=[CH:15]/[N:16](C)C)[CH:9]=[CH:8][C:6]=2[N:7]=1)#[N:2].N[C:20]1[CH:21]=[CH:22][C:23]2[NH:27][CH:26]=[N:25][C:24]=2[CH:28]=1.[K+].[Br-]>C(Cl)Cl.CO>[NH:25]1[C:24]2[CH:28]=[C:20]([NH:13][C:12]3[C:11]4[C:10](=[CH:9][CH:8]=[C:6]5[N:7]=[C:3]([C:1]#[N:2])[S:4][C:5]5=4)[N:14]=[CH:15][N:16]=3)[CH:21]=[CH:22][C:23]=2[N:27]=[CH:26]1

Participants

5

Reactant 3

HCID 253877Potassium BromideHCID 178484237HCID 178484237, compoundHCID 178507353HCID 178507353, compound

Product 1

HCID 71277768HCID 71277768, compoundYield 98%

Reagents, catalysts & solvents 1

HCID 21226129Dichloromethane methanolSolvent

Procedure

Prepared from VII and 6-aminobenzimidazole. Flash chromatography eluent (DCM-MeOH 8:2). Yield: 98%; yellow solid; mp>260° C.; IR (KBr) νmax/cm−1 3084, 2226, 1615, 1557, 1464, 1376, 1347, 1248, 1147, 967, 939, 809; 1H NMR (300 MHz, DMSO-d6) δ 8.48 (d, 1H, J=8.7 Hz), 8.15-8.10 (m, 2H), 8.02 (m, 1H), 7.75 (d, 1H, J=8.7 Hz), 7.56 (m, 1H), 7.04 (m, 1H); HRMS calcd for C17H10N7S (M+H+): 344.0718, found 344.0705.

Sources & evidence

ORD record
ord-9999049d48d14572896279bd8c256597
Source dataset
uspto-grants-2016_09
Patent number
US09446044B2

Reaction notes

Loading…