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3-(Trifluoromethyl)phenyl isocyanate → 1-(4-Iodo-3-methylphenyl)-3-(3-(trifluoromethyl)phenyl)urea

HRID 502698
Notes
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Reaction equation

HRID 502698 reaction equation
[I:1][C:2]1[CH:8]=[CH:7][C:5]([NH2:6])=[CH:4][C:3]=1[CH3:9].[N:10]([C:13]1[CH:18]=[CH:17][CH:16]=[C:15]([C:19]([F:22])([F:21])[F:20])[CH:14]=1)=[C:11]=[O:12].[N-]=C=O>C1C=CC=CC=1>[I:1][C:2]1[CH:8]=[CH:7][C:5]([NH:6][C:11]([NH:10][C:13]2[CH:18]=[CH:17][CH:16]=[C:15]([C:19]([F:20])([F:21])[F:22])[CH:14]=2)=[O:12])=[CH:4][C:3]=1[CH3:9]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

5

Reactant 3

HCID 94833-(Trifluoromethyl)phenyl isocyanateHCID 105034IsocyanateHCID 27342754-Iodo-3-methylaniline

Product 1

HCID 684617451-(4-Iodo-3-methylphenyl)-3-(3-(trifluoromethyl)phenyl)urea

Reagents, catalysts & solvents 1

HCID 241BenzeneSolvent

Conditions

Temperature
90 °C

Procedure

To a solution of 4-iodo-3-methylaniline (200 mg, 0.86 mmol) in benzene (5 mL) in a sealable tube was added 1-isocyanato-3-(trifluoromethyl)benzene (0.133 mL, 0.94 mL; “E” is an electrophilic group disussed in scheme 3, and here is an isocyanate). The tube was sealed and heated at 90° C. for 4 h. The mixture was allowed to cool to room temperature before filtering. The off white solid was washed with additional benzene (10 mL) and used without further purification.

Workup

  1. customThe tube was sealed
  2. temperatureto cool to room temperature
  3. filtrationbefore filtering
  4. washThe off white solid was washed with additional benzene (10 mL)
  5. customused without further purification

Sources & evidence

ORD record
ord-efc27e70662e4cee8cae76e17e6d8d75
Source dataset
uspto-grants-2010_08
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07776869B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes