Phenethyl isocyanate → HCID 21714409, compound

HRID 650097Notes

Reaction equation

HRID 650097 reaction equation
[CH2:1]([N:9]=[C:10]=[O:11])[CH2:2][C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1.[NH2:12][C:13]1[CH:18]=[CH:17][C:16]([N+:19]([O-:21])=[O:20])=[CH:15][C:14]=1[OH:22]>C1(C)C=CC=CC=1>[C:3]1([CH2:2][CH2:1][NH:9][C:10]([NH:12][C:13]2[CH:18]=[CH:17][C:16]([N+:19]([O-:21])=[O:20])=[CH:15][C:14]=2[OH:22])=[O:11])[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1

Participants

4

Reactant 2

HCID 160602Phenethyl isocyanateHCID 49847212-Amino-5-Nitrophenol

Product 1

HCID 21714409HCID 21714409, compound

Reagents, catalysts & solvents 1

HCID 1140TolueneSolvent

Conditions

Temperature
80 °C

Procedure

To a solution of phenethyl isocyanate (382 mg, 2.6 mmol) in toluene, 2-amino-5-nitrophenol (400 mg, 2.6 mmol) was added. The reaction mixture was stirred at 80° C. for 24 hours, then cooled to room temperature. The product was purified by precipitation from toluene and filtering (650 mg, 83%). m.p: 188.6-189.4° C.; EI-MS m/z 302 (M+H)+.

Workup

  1. temperaturecooled to room temperature
  2. customThe product was purified by precipitation from toluene
  3. filtrationfiltering (650 mg, 83%)

Sources & evidence

ORD record
ord-fbae42cf12454f1a9bbbf35c1379212c
Source dataset
uspto-grants-2001_08
Patent number
US06271261B1

Reaction notes

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