3-(Trifluoromethyl)phenyl isocyanate → HCID 131725983, compound

HRID 1243652Notes

Reaction equation

HRID 1243652 reaction equation
[F:1][C:2]([F:13])([F:12])[C:3]1[CH:4]=[C:5]([N:9]=[C:10]=[O:11])[CH:6]=[CH:7][CH:8]=1.[Na:14].[Na].[P:16]([C:20]1[CH:26]=[C:25]([Br:27])[CH:24]=[CH:23][C:21]=1[NH2:22])([OH:19])([OH:18])=[O:17]>CS(C)=O>[Na:14].[Na:14].[P:16]([C:20]1[CH:26]=[C:25]([Br:27])[CH:24]=[CH:23][C:21]=1[NH:22][C:10]([NH:9][C:5]1[CH:4]=[C:3]([C:2]([F:12])([F:13])[F:1])[CH:8]=[C:7]([C:2]([F:13])([F:12])[F:1])[CH:6]=1)=[O:11])([OH:18])([OH:19])=[O:17]

Participants

4

Reactant 2

HCID 94833-(Trifluoromethyl)phenyl isocyanateHCID 69501515HCID 69501515, compound

Product 1

HCID 131725983HCID 131725983, compound

Reagents, catalysts & solvents 1

HCID 679Dimethyl SulfoxideSolvent

Conditions

Temperature
65 °C

Procedure

To a 30 mL vial containing a stirring bar DMSO-D6 (0.5 mL), pyridine-D5 (1 drop), 3-trifluoromethylphenylisocyanate (14 mg, 0.080 mol) and 2-Phosphono-4-bromoaniline disodium salt (10 mg, 0.036 mmol) were added. The resulting mixture was stirred at 65° C. for 3 hours, resulting in a DMSO solution of the desired urea.

Workup

  1. additionwere added

Sources & evidence

ORD record
ord-350ed1c720db4cf780aa1341636de34c
Source dataset
uspto-grants-2006_10
Patent number
US07119120B2

Reaction notes

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