Phenyl isocyanate → HCID 178521960, compound

HRID 1727698Notes

Reaction equation

HRID 1727698 reaction equation
[NH:1]1[C:5]2=[N:6][CH:7]=[CH:8][C:9]([C:10]3[C:11]([C:15]4[CH:21]=[CH:20][C:18]([NH2:19])=[CH:17][CH:16]=4)=[N:12][NH:13][CH:14]=3)=[C:4]2[CH:3]=[CH:2]1.C(N(CC)CC)C.[C:29]1([N:35]=[C:36]=[O:37])[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1>O1CCCC1>[C:29]1([NH:35][C:36]([NH:19][C:18]2[CH:20]=[CH:21][C:15]([C:11]3[C:10]([C:9]4[CH:8]=[CH:7][N:6]=[C:5]5[NH:1][CH:2]=[CH:3][C:4]=45)=[CH:14][NH:13][N:12]=3)=[CH:16][CH:17]=2)=[O:37])[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1

Participants

5

Reactant 3

HCID 7672Phenyl isocyanateHCID 8471TriethylamineHCID 178507468HCID 178507468, compound

Product 1

HCID 178521960HCID 178521960, compound

Reagents, catalysts & solvents 1

HCID 8028TetrahydrofuranSolvent

Procedure

To a solution of 4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-3-yl]aniline (0.13 mmol) and triethylamine (0.20 mmol) in tetrahydrofuran (1.5 mL) was added phenyl isocyanate (0.13 mmol). After 14 h, the reaction mixture was concentrated in vacuo and the residue was purified by Gilson reverse phase HPLC to provide the title compound. ESMS [M+H]+: 395.2

Workup

  1. concentrationthe reaction mixture was concentrated in vacuo
  2. customthe residue was purified by Gilson reverse phase HPLC

Sources & evidence

ORD record
ord-fcfee04c60ac4d5bba129c1c33f3ce99
Source dataset
uspto-grants-2009_02
Patent number
US07495102B2

Reaction notes

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