Benzyl isocyanate → HCID 178518788, compound

HRID 710545Notes

Reaction equation

HRID 710545 reaction equation
[N:1]1[C:5]2[CH:6]=[CH:7][C:8]([C:10]([NH:12][NH2:13])=O)=[CH:9][C:4]=2[NH:3][CH:2]=1.[CH2:14]([N:21]=[C:22]=[O:23])[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1>>[NH:1]1[C:5]2[CH:6]=[CH:7][C:8]([C:10]3[N:21]([CH2:14][C:15]4[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=4)[C:22](=[O:23])[NH:13][N:12]=3)=[CH:9][C:4]=2[N:3]=[CH:2]1

Participants

3

Reactant 2

HCID 76639Benzyl isocyanateHCID 166371191H-benzimidazole-5-carbohydrazide

Product 1

HCID 178518788HCID 178518788, compound

Procedure

The compound was synthesized starting from benzimidazol-5-carbohydrazide (176 mg; 1 mmol) and benzylisocyanate (0.133 g; 0.123 ml; 1 mmol); Yield: 0.077 (26%); MS m/z: 292.4 [M+H]+; 1H-NMR (DMSO d6, 400 MHz): δ 4.92 (s, 2H); 7.02-7.04 (m, 2H); 7.23-7.27 (m, 3H); 7.52 (dd, 1H, 4J=1.7 Hz, 3J=8.7 Hz); 7.76 (d, 1H, 3J=8.7 Hz); 7.81 (m, 1H); 8.99 (s, 1H), 12.08 (s, 1H); HPLC (METHOD [A]): rt 8.28 min (100%)

Workup

  1. customThe compound was synthesized
  2. customrt 8.28 min (100%)

Sources & evidence

ORD record
ord-2b9a41cf9617491cadc5687e9c2927d2
Source dataset
uspto-grants-2015_11
Patent number
US09181233B2

Reaction notes

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