(4-Isocyanatobutyl)benzene → HCID 86663116, compound

HRID 530293Notes

Reaction equation

HRID 530293 reaction equation
[N:1]([CH2:4][CH2:5][CH2:6][CH2:7][C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)=[C:2]=[O:3].[NH:14]1[C:18]2[CH:19]=[CH:20][CH:21]=[CH:22][C:17]=2[N:16]=[N:15]1>C(Cl)Cl>[C:8]1([CH2:7][CH2:6][CH2:5][CH2:4][NH:1][C:2]([N:14]2[C:18]3[CH:19]=[CH:20][CH:21]=[CH:22][C:17]=3[N:16]=[N:15]2)=[O:3])[CH:9]=[CH:10][CH:11]=[CH:12][CH:13]=1

Participants

4

Reactant 2

HCID 15932353(4-Isocyanatobutyl)benzeneHCID 178418385HCID 178418385, compound

Product 1

HCID 86663116HCID 86663116, compound

Reagents, catalysts & solvents 1

HCID 6344DichloromethaneSolvent

Conditions

Temperature
22.5 °C

Procedure

(4-Isocyanatobutyl)benzene (463 mg, 2.64 mmol) was added dropwise to a stirred solution of 1H-benzo[d][1,2,3]triazole (300 mg, 2.52 mmol) in DCM (18 ml) at 0-5° C. The clear reaction mixture was allowed to stir at 20-25° C. overnight. The solvent was removed in vacuum to give a clear oil. The oil solidified on standing into a colourless solid. The product was recrystallised from 2-propanol, the solid was collected, dried in vacuum at 45° C. Yield 477 mg (64%).

Workup

  1. customThe solvent was removed in vacuum
  2. customto give a clear oil
  3. customThe product was recrystallised from 2-propanol
  4. customthe solid was collected
  5. customdried in vacuum at 45° C

Sources & evidence

ORD record
ord-6cd6845a665e4d7ba8dd27ece7472928
Source dataset
uspto-grants-2016_05
Patent number
US09353082B2

Reaction notes

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