3-(Trifluoromethyl)phenyl isocyanate → HCID 58659415, compound

HRID 1993559Notes

Reaction equation

HRID 1993559 reaction equation
[CH3:1][NH:2][C:3]1[N:8]=[CH:7][N:6]=[C:5]([CH2:9][C:10]2[CH:15]=[CH:14][C:13]([NH:16]C(NC3C=CC(C)=CC=3)=O)=[CH:12][CH:11]=2)[CH:4]=1.[F:27][C:28]([F:39])([F:38])[C:29]1[CH:34]=[CH:33][CH:32]=[C:31]([N:35]=[C:36]=[O:37])[CH:30]=1>>[CH3:1][NH:2][C:3]1[N:8]=[CH:7][N:6]=[C:5]([CH2:9][C:10]2[CH:15]=[CH:14][C:13]([NH:16][C:36]([NH:35][C:31]3[CH:32]=[CH:33][CH:34]=[C:29]([C:28]([F:38])([F:39])[F:27])[CH:30]=3)=[O:37])=[CH:12][CH:11]=2)[CH:4]=1

Participants

3

Reactant 2

HCID 94833-(Trifluoromethyl)phenyl isocyanateHCID 58659402HCID 58659402, compound

Product 1

HCID 58659415HCID 58659415, compound

Procedure

The title compound is prepared as described in Example 102 but using [6-(4-amino-benzyl)-pyrimidin-4-yl]-methyl-amine (Example 119) and α,α,α-trifluoro-m-tolyl-isocyanate. The reaction mixture is stirred for 3 h. The title compound is obtained as a white solid: ES-MS: 402.0 [M+H]+; single peak at tR=7.34 min (System 2); Rf=0.32 (CH2Cl2/MeOH, 90/10).

Workup

  1. customThe title compound is prepared

Sources & evidence

ORD record
ord-e7862ef27921420ca76d700bd46d3639
Source dataset
uspto-grants-2010_01
Patent number
US07652022B2

Reaction notes

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