4-(Trifluoromethyl)phenyl isocyanate → HCID 10179015, compound

HRID 2085993Notes

Reaction equation

HRID 2085993 reaction equation
C(C1C=CC(NC([N:14]2[CH2:19][CH2:18][N:17]([C:20]3[C:25]([Cl:26])=[CH:24][CH:23]=[CH:22][N:21]=3)[CH2:16][C@H:15]2[CH3:27])=O)=CC=1)(CC)C.[F:28][C:29]([F:40])([F:39])[C:30]1[CH:35]=[CH:34][C:33]([N:36]=[C:37]=[O:38])=[CH:32][CH:31]=1>C1(C)C=CC=CC=1>[F:28][C:29]([F:39])([F:40])[C:30]1[CH:31]=[CH:32][C:33]([NH:36][C:37]([N:14]2[CH2:19][CH2:18][N:17]([C:20]3[C:25]([Cl:26])=[CH:24][CH:23]=[CH:22][N:21]=3)[CH2:16][C@H:15]2[CH3:27])=[O:38])=[CH:34][CH:35]=1

Participants

4

Reactant 2

HCID 737684-(Trifluoromethyl)phenyl isocyanateHCID 60078442HCID 60078442, compound

Product 1

HCID 10179015HCID 10179015, compound

Reagents, catalysts & solvents 1

HCID 1140TolueneSolvent2×

Procedure

Dissolve Part A material of example 1 (0.2756 g, 1.3 mmoles) in toluene (1.5 mL) under nitrogen at room temperature. Add drop wise 4-trifluoromethylphenyl isocyanate (0.2431 g, 1.3 mmoles) dissolved in toluene (50 mL) to the mixture over a period of 30 mins and stir at room temperature for 3 hours. Evaporate the solvent from reaction mixture under vacuum to afford colorless oil. Crystallize the oil from 1:1 Et2O/hexane (2.0 mL) to afford white solid.

Workup

  1. customEvaporate the solvent
  2. customfrom reaction mixture under vacuum
  3. customto afford colorless oil
  4. customCrystallize the oil from 1:1 Et2O/hexane (2.0 mL)
  5. customto afford white solid

Sources & evidence

ORD record
ord-bdb9ae5e462e49c7b89ca2f905fa34c2
Source dataset
uspto-grants-2004_04
Patent number
US06723730B2

Reaction notes

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