3-(Trifluoromethyl)phenyl isocyanate → HCID 178522230, compound

HRID 1993560Notes

Reaction equation

HRID 1993560 reaction equation
[NH:1]1[C:5]([C:6]2[CH:11]=[C:10]([O:12][C:13]3[CH:18]=[CH:17][C:16]([NH2:19])=[CH:15][CH:14]=3)[CH:9]=[CH:8][N:7]=2)=[N:4][N:3]=[N:2]1.[F:20][C:21]([F:32])([F:31])[C:22]1[CH:27]=[CH:26][CH:25]=[C:24]([N:28]=[C:29]=[O:30])[CH:23]=1>>[NH:4]1[C:5]([C:6]2[CH:11]=[C:10]([O:12][C:13]3[CH:14]=[CH:15][C:16]([NH:19][C:29]([NH:28][C:24]4[CH:25]=[CH:26][CH:27]=[C:22]([C:21]([F:20])([F:31])[F:32])[CH:23]=4)=[O:30])=[CH:17][CH:18]=3)[CH:9]=[CH:8][N:7]=2)=[N:1][N:2]=[N:3]1

Participants

3

Reactant 2

HCID 94833-(Trifluoromethyl)phenyl isocyanateHCID 178507761HCID 178507761, compound

Product 1

HCID 178522230HCID 178522230, compound

Procedure

The title compound is prepared as described in Example 102 but using 4-[2-(1H-tetrazol-5-yl)-pyridin-4-yloxy]-phenylamine and α,α,α-trifluoro-m-tolyl-isocyanate. The reaction mixture is stirred for 4 h. The crude product Is washed with a solution of CH2Cl2/MeOH (95/5) and dried In vacuo to afford the title compound as a beige solid: ES-MS: 441.9 [M+H]+; single peak at tR=7.93 min (System 2); Rf=0.36 (CH2Cl2/MeOH, 80/20).

Workup

  1. customThe title compound is prepared
  2. washThe crude product Is washed with a solution of CH2Cl2/MeOH (95/5)
  3. customdried In vacuo

Sources & evidence

ORD record
ord-cc89e202791748cbbefd5bc3e5035956
Source dataset
uspto-grants-2010_01
Patent number
US07652022B2

Reaction notes

Loading…