1-Chloro-4-isocyanato-2-(trifluoromethyl) benzene → HCID 178522075, compound

HRID 639771Notes

Reaction equation

HRID 639771 reaction equation
[NH:1]1[C:5]([C:6]2[CH:7]=[C:8]([C:13]3[CH:18]=[CH:17][C:16]([C:19]([F:22])([F:21])[F:20])=[CH:15][CH:14]=3)[CH:9]=[CH:10][C:11]=2[NH2:12])=[N:4][N:3]=[N:2]1.[Cl:23][C:24]1[CH:29]=[CH:28][C:27]([N:30]=[C:31]=[O:32])=[CH:26][C:25]=1[C:33]([F:36])([F:35])[F:34]>C1(C)C=CC=CC=1>[Cl:23][C:24]1[CH:29]=[CH:28][C:27]([NH:30][C:31]([NH:12][C:11]2[CH:10]=[CH:9][C:8]([C:13]3[CH:14]=[CH:15][C:16]([C:19]([F:20])([F:21])[F:22])=[CH:17][CH:18]=3)=[CH:7][C:6]=2[C:5]2[NH:1][N:2]=[N:3][N:4]=2)=[O:32])=[CH:26][C:25]=1[C:33]([F:34])([F:35])[F:36]

Participants

4

Reactant 2

HCID 27332651-Chloro-4-isocyanato-2-(trifluoromethyl) benzeneHCID 178507400HCID 178507400, compound

Product 1

HCID 178522075HCID 178522075, compound

Reagents, catalysts & solvents 1

HCID 1140TolueneSolvent

Procedure

3-(1H-Tetrazol-5-yl)-4′-trifluoromethyl-biphenyl-4-ylamine (0.5 g) and 4-choro-3-trifluoromethyl-phenyl isocyanate (0.4 g) in toluene (15 mL) was stirred at room temperature for two days. The reaction mixture was evaporated to an oil, the oil was dissolved in acetone and filtrated through Celite, the filtrate was added water, the product precipitated and was isolated by filtration. Yield 0.6 g Mp. 226-228° C.

Workup

  1. customThe reaction mixture was evaporated to an oil
  2. dissolutionthe oil was dissolved in acetone
  3. filtrationfiltrated through Celite
  4. additionthe filtrate was added water
  5. customthe product precipitated
  6. customwas isolated by filtration

Sources & evidence

ORD record
ord-ec8134883c0b4e49af48214fc132fe7c
Source dataset
uspto-grants-2010_04
Patent number
US07691891B2

Reaction notes

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