tert-Butyl isocyanate → HCID 178449560, compound

HRID 1012087Notes

Reaction equation

HRID 1012087 reaction equation
[NH:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[N:3]=[C:2]1[C:10]1[C:14]([NH2:15])=[CH:13][NH:12][N:11]=1.[C:16]([N:20]=[C:21]=[O:22])([CH3:19])([CH3:18])[CH3:17]>CN(C=O)C>[NH:3]1[C:4]2[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=2[N:1]=[C:2]1[C:10]1[C:14]([NH:15][C:21]([NH:20][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:22])=[CH:13][NH:12][N:11]=1

Participants

4

Reactant 2

HCID 62412tert-Butyl isocyanateHCID 178508052HCID 178508052, compound

Product 1

HCID 178449560HCID 178449560, compoundYield 35%

Reagents, catalysts & solvents 1

HCID 6228DimethylformamideSolvent

Procedure

A mixture or 3-(1H-Benzimidazol-2-yl)-1H-pyrazol-4-ylamine (100 mg, 0.50 mmol), tert-butyl isocyanate (60 ul, 0.60 mmol) in DMF (5 ml) was stirred at ambient temperature for 4 h. The mixture was reduced in vacuo. The residue was purified by preparative LC/MS, and following evaporation, gave 52 mg of the title compound as a white solid (35%). (LC/MS: Rt 2.61, [M+H]+ 299.15).

Workup

  1. customThe residue was purified by preparative LC/MS
  2. customevaporation

Sources & evidence

ORD record
ord-07b01ef4b2154c739ea10391fe5d49a3
Source dataset
uspto-grants-2011_07
Patent number
US07977477B2

Reaction notes

Loading…