Benzyl Isothiocyanate → HCID 178527912, compound

HRID 710546Notes

Reaction equation

HRID 710546 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]=[S: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](=[S:23])[NH:13][N:12]=3)=[CH:9][C:4]=2[N:3]=[CH:2]1

Participants

3

Reactant 2

HCID 2346Benzyl IsothiocyanateHCID 166371191H-benzimidazole-5-carbohydrazide

Product 1

HCID 178527912HCID 178527912, compound

Procedure

The compound was synthesized starting from benzimidazol-5-carbohydrazide (176 mg; 1 mmol) and benzylisothiocyanate (0.149 g; 0.13 ml; 1 mmol); Yield: 0.052 g (17%); MS m/z: 308.3 [M+H]+; 1H-NMR (DMSO d6, 400 MHz): δ 5.33 (s, 2H); 6.97-6.99 (m, 2H); 7.15-7.22 (m, 3H); 7.44 (dd, 1H, 4J=1.7 Hz, 3J=8.7 Hz); 7.71 (d, 1H, 3J=8.7 Hz), 7.81 (br s, 1H); 8.79 (s, 1H); 14.08 (s, 1H); HPLC (METHOD [A]): rt 10.47 min (100%)

Workup

  1. customThe compound was synthesized
  2. customrt 10.47 min (100%)

Sources & evidence

ORD record
ord-e92c716035284484a93a3c7485fa478d
Source dataset
uspto-grants-2015_11
Patent number
US09181233B2

Reaction notes

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