Potassium Carbonate → HCID 178446328, compound

HRID 45968Notes

Reaction equation

HRID 45968 reaction equation
[CH3:1][CH:2]([NH:6][C:7]1[CH:15]=[CH:14][C:10]2[N:11]=[CH:12][NH:13][C:9]=2[CH:8]=1)[CH2:3][CH2:4][CH3:5].[CH3:16][S:17][C:18]1[CH:25]=[CH:24][C:21]([CH2:22]Br)=[CH:20][CH:19]=1.C([O-])([O-])=O.[K+].[K+]>>[CH3:16][S:17][C:18]1[CH:25]=[CH:24][C:21]([CH2:22][N:6]([CH:2]([CH2:3][CH2:4][CH3:5])[CH3:1])[C:7]2[CH:15]=[CH:14][C:10]3[NH:11][CH:12]=[N:13][C:9]=3[CH:8]=2)=[CH:20][CH:19]=1

Participants

4

Reactant 3

HCID 11430Potassium CarbonateHCID 113679304-(Methylthio)benzyl bromideHCID 67446702N-(Pentan-2-yl)-1H-benzo[d]imidazol-5-amine

Product 1

HCID 178446328HCID 178446328, compound

Procedure

The compound was synthesized starting from N-(pentan-2-yl)benzimidazol-5-amine (102 mg; 0.5 mmol; 1 eq.), 4-methylthiobenzylbromide (120 mg; 0.55 mmol; 1.1 eq.) and K2CO3 (76 mg; 0.55 mmol; 1.1 eq.) according to method 6; Yield: 0.038 g (22.4%); MS m/z: 340.3 [M+H]+; 1H-NMR (400 MHz, DMSO d6): δ 0.85-0.89 (m, 3H); 1.12 (d, 3H, 3J=6.6 Hz); 1.33-1.47 (m, 3H); 1.61-1.68 (m, 1H); 2.40 (s, 3H); 3.92-3.94 (m, 1H, CH3—N—CH—C3H7); 4.30 (s, 2H); 6.77-6.79 (m, 2H); 7.13-7.15 (m, 2H); 7.23-7.25 (m, 2H); 7.31-7.33 (m, 1H); 7.90 (s, 1H); 11.90 (br s, 1H); HPLC (METHOD [A]): rt 16.75 min (85.6%)

Workup

  1. customThe compound was synthesized
  2. customrt 16.75 min (85.6%)

Sources & evidence

ORD record
ord-6b7f6da35ec744249b76f15dbf7d1155
Source dataset
uspto-grants-2013_09
Patent number
US08541596B2

Reaction notes

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